CID 197020

N4-hydroxycytidine

Structural Information

Molecular Formula
C9H13N3O6
SMILES
C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey
XCUAIINAJCDIPM-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

63
References

1458
Patents

259.08044 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08772 153.2
[M+Na]+ 282.06966 161.2
[M-H]- 258.07316 153.8
[M+NH4]+ 277.11426 165.0
[M+K]+ 298.04360 159.1
[M+H-H2O]+ 242.07770 146.1
[M+HCOO]- 304.07864 169.8
[M+CH3COO]- 318.09429 187.6
[M+Na-2H]- 280.05511 155.5
[M]+ 259.07989 151.9
[M]- 259.08099 151.9
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