CID 107461

N4-acetylcytidine

Structural Information

Molecular Formula
C11H15N3O6
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1
InChIKey
NIDVTARKFBZMOT-PEBGCTIMSA-N
Compound name
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

97
References

7077
Patents

285.0961 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.103376 161.2
[M+Na]+ 308.085318 168.8
[M-H]- 284.088824 163.0
[M+NH4]+ 303.129923 172.6
[M+K]+ 324.059258 167.2
[M+H-H2O]+ 268.093360 153.8
[M+HCOO]- 330.094301 177.8
[M+CH3COO]- 344.109951 195.3
[M+Na-2H]- 306.070766 161.8
[M]+ 285.09555142 161.0
[M]- 285.09664858 161.0
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