CID 107598

N-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+/m1/s1
InChIKey
MPSJHJFNKMUKCN-DYEKYZERSA-N
Compound name
N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

331.11682 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12410 174.0
[M+Na]+ 354.10604 180.4
[M-H]- 330.10954 179.8
[M+NH4]+ 349.15064 183.4
[M+K]+ 370.07998 177.4
[M+H-H2O]+ 314.11408 164.7
[M+HCOO]- 376.11502 191.7
[M+CH3COO]- 390.13067 204.8
[M+Na-2H]- 352.09149 175.3
[M]+ 331.11627 173.0
[M]- 331.11737 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

No literature data available for this compound.

Patent stripe

patents stripe