CID 510145

1-(3'-c-cyano-2',3'-didehydro-3'-deoxy-l-furanosyl)cytidine

Structural Information

Molecular Formula
C10H10N4O3
SMILES
C1=CN(C(=O)N=C1N)[C@@H]2C=C([C@@H](O2)CO)C#N
InChI
InChI=1S/C10H10N4O3/c11-4-6-3-9(17-7(6)5-15)14-2-1-8(12)13-10(14)16/h1-3,7,9,15H,5H2,(H2,12,13,16)/t7-,9-/m0/s1
InChIKey
RVPCJDJECKAFIJ-CBAPKCEASA-N
Compound name
(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 148.7
[M+Na]+ 257.06451 159.5
[M-H]- 233.06801 150.9
[M+NH4]+ 252.10911 161.4
[M+K]+ 273.03845 156.6
[M+H-H2O]+ 217.07255 133.8
[M+HCOO]- 279.07349 165.9
[M+CH3COO]- 293.08914 200.5
[M+Na-2H]- 255.04996 151.6
[M]+ 234.07474 143.3
[M]- 234.07584 143.3
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

No patent data available for this compound.