CID 451855

Cytidine, 3'-deoxy-3'-(hydroxymethyl)-

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CO)O
InChI
InChI=1S/C10H15N3O5/c11-7-1-2-13(10(17)12-7)9-8(16)5(3-14)6(4-15)18-9/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)/t5-,6-,8-,9-/m1/s1
InChIKey
BOSBLRZAOWVMFK-SQEXRHODSA-N
Compound name
4-amino-1-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

257.10117 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 155.6
[M+Na]+ 280.090388 163.9
[M-H]- 256.093894 156.9
[M+NH4]+ 275.134993 168.1
[M+K]+ 296.064328 161.4
[M+H-H2O]+ 240.098430 148.3
[M+HCOO]- 302.099371 172.6
[M+CH3COO]- 316.115021 189.8
[M+Na-2H]- 278.075836 156.6
[M]+ 257.10062142 154.1
[M]- 257.10171858 154.1
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

patents stripe