PubChemLite - Guanosine, 5'-o-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-n-(2-methyl-1-oxopropyl)- (C35H37N5O7)

Structural Information

Molecular Formula

SMILES

CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

InChI

InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1

InChIKey

RMQXDNUKLIDXOS-ZGIBFIJWSA-N

Compound name

N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	640.27658	245.3
[M+Na]+	662.25852	247.5
[M-H]-	638.26202	256.2
[M+NH4]+	657.30312	240.8
[M+K]+	678.23246	244.7
[M+H-H2O]+	622.26656	233.1
[M+HCOO]-	684.26750	254.8
[M+CH3COO]-	698.28315	248.8
[M+Na-2H]-	660.24397	241.9
[M]+	639.26875	249.5
[M]-	639.26985	249.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

640.27658

245.3

[M+Na]+

662.25852

247.5

[M-H]-

638.26202

256.2

[M+NH4]+

657.30312

240.8

[M+K]+

678.23246

244.7

[M+H-H2O]+

622.26656

233.1

[M+HCOO]-

684.26750

254.8

[M+CH3COO]-

698.28315

248.8

[M+Na-2H]-

660.24397

241.9

[M]+

639.26875

249.5

[M]-

639.26985

249.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Guanosine, 5'-o-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-n-(2-methyl-1-oxopropyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe