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

literature stripe

Patent stripe

patents stripe