CID 9797617

N4-benzoyl-2'-deoxycytidine

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
InChI
InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1
InChIKey
MPSJHJFNKMUKCN-OUCADQQQSA-N
Compound name
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

331.11682 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.124096 174.0
[M+Na]+ 354.106038 180.4
[M-H]- 330.109544 179.8
[M+NH4]+ 349.150643 183.4
[M+K]+ 370.079978 177.4
[M+H-H2O]+ 314.114080 164.7
[M+HCOO]- 376.115021 191.7
[M+CH3COO]- 390.130671 204.8
[M+Na-2H]- 352.091486 175.3
[M]+ 331.11627142 173.0
[M]- 331.11736858 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe