CID 474461

N-acetyl-2',3'-dideoxy-3'-(hydroxymethyl)cytidine

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C12H17N3O5/c1-7(18)13-10-2-3-15(12(19)14-10)11-4-8(5-16)9(6-17)20-11/h2-3,8-9,11,16-17H,4-6H2,1H3,(H,13,14,18,19)/t8-,9-,11-/m1/s1
InChIKey
BHIJOXYKHVUOEY-FXPVBKGRSA-N
Compound name
N-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.11682 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 162.6
[M+Na]+ 306.10604 169.6
[M-H]- 282.10954 165.2
[M+NH4]+ 301.15064 174.6
[M+K]+ 322.07998 167.8
[M+H-H2O]+ 266.11408 154.7
[M+HCOO]- 328.11502 180.3
[M+CH3COO]- 342.13067 196.6
[M+Na-2H]- 304.09149 163.7
[M]+ 283.11627 162.7
[M]- 283.11737 162.7
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

No patent data available for this compound.