CID 11346228

N4-acetyl-2'-deoxycytidine

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H15N3O5/c1-6(16)12-9-2-3-14(11(18)13-9)10-4-7(17)8(5-15)19-10/h2-3,7-8,10,15,17H,4-5H2,1H3,(H,12,13,16,18)/t7-,8+,10+/m0/s1
InChIKey
RWYFZABPLDFELM-QXFUBDJGSA-N
Compound name
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

155
Patents

269.10117 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.108446 158.1
[M+Na]+ 292.090388 165.6
[M-H]- 268.093894 160.9
[M+NH4]+ 287.134993 170.7
[M+K]+ 308.064328 164.0
[M+H-H2O]+ 252.098430 150.4
[M+HCOO]- 314.099371 176.2
[M+CH3COO]- 328.115021 193.6
[M+Na-2H]- 290.075836 159.7
[M]+ 269.10062142 157.9
[M]- 269.10171858 157.9
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