PubChemLite - N-(9-((2r,4s,5r)-5-((tert-butyldimethylsilyloxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9h-purin-6-yl)benzamide (C23H31N5O4Si)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H31N5O4Si/c1-23(2,3)33(4,5)31-12-17-16(29)11-18(32-17)28-14-26-19-20(24-13-25-21(19)28)27-22(30)15-9-7-6-8-10-15/h6-10,13-14,16-18,29H,11-12H2,1-5H3,(H,24,25,27,30)/t16-,17+,18+/m0/s1

InChIKey

BJZZQJFYKQPUGO-RCCFBDPRSA-N

Compound name

N-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide

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]+	470.22182	212.7
[M+Na]+	492.20376	218.1
[M-H]-	468.20726	218.5
[M+NH4]+	487.24836	218.1
[M+K]+	508.17770	215.2
[M+H-H2O]+	452.21180	203.2
[M+HCOO]-	514.21274	224.6
[M+CH3COO]-	528.22839	232.2
[M+Na-2H]-	490.18921	213.6
[M]+	469.21399	216.3
[M]-	469.21509	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.22182

212.7

[M+Na]+

492.20376

218.1

[M-H]-

468.20726

218.5

[M+NH4]+

487.24836

218.1

[M+K]+

508.17770

215.2

[M+H-H2O]+

452.21180

203.2

[M+HCOO]-

514.21274

224.6

[M+CH3COO]-

528.22839

232.2

[M+Na-2H]-

490.18921

213.6

[M]+

469.21399

216.3

[M]-

469.21509

216.3

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

N-(9-((2r,4s,5r)-5-((tert-butyldimethylsilyloxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9h-purin-6-yl)benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe