PubChemLite - Trityl-pentofuranosyl-t (C29H28N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@H](C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-26(20)33)27-25(32)17-24(36-27)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-25,27,32H,17,19H2,1H3,(H,30,33,34)/t24-,25-,27+/m0/s1

InChIKey

XYMZBTFKUMWINB-OHSXHVKISA-N

Compound name

1-[(2R,3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

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]+	485.20711	216.5
[M+Na]+	507.18905	221.4
[M-H]-	483.19255	227.6
[M+NH4]+	502.23365	218.6
[M+K]+	523.16299	215.7
[M+H-H2O]+	467.19709	204.2
[M+HCOO]-	529.19803	229.8
[M+CH3COO]-	543.21368	223.1
[M+Na-2H]-	505.17450	215.9
[M]+	484.19928	215.2
[M]-	484.20038	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.20711

216.5

[M+Na]+

507.18905

221.4

[M-H]-

483.19255

227.6

[M+NH4]+

502.23365

218.6

[M+K]+

523.16299

215.7

[M+H-H2O]+

467.19709

204.2

[M+HCOO]-

529.19803

229.8

[M+CH3COO]-

543.21368

223.1

[M+Na-2H]-

505.17450

215.9

[M]+

484.19928

215.2

[M]-

484.20038

215.2

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

Trityl-pentofuranosyl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe