CID 23519671

4'-c-ethenyl-cytidine

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C=C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C11H15N3O5/c1-2-11(5-15)8(17)7(16)9(19-11)14-4-3-6(12)13-10(14)18/h2-4,7-9,15-17H,1,5H2,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1
InChIKey
UFDRZUUSSYKVPV-PKIKSRDPSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-5-ethenyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

269.10117 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 157.5
[M+Na]+ 292.09039 166.7
[M-H]- 268.09389 159.0
[M+NH4]+ 287.13499 171.5
[M+K]+ 308.06433 163.7
[M+H-H2O]+ 252.09843 151.2
[M+HCOO]- 314.09937 174.3
[M+CH3COO]- 328.11502 191.6
[M+Na-2H]- 290.07584 159.5
[M]+ 269.10062 156.1
[M]- 269.10172 156.1
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.