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

25
Patents

257.10117 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 155.6
[M+Na]+ 280.09039 163.9
[M-H]- 256.09389 156.9
[M+NH4]+ 275.13499 168.1
[M+K]+ 296.06433 161.4
[M+H-H2O]+ 240.09843 148.3
[M+HCOO]- 302.09937 172.6
[M+CH3COO]- 316.11502 189.8
[M+Na-2H]- 278.07584 156.6
[M]+ 257.10062 154.1
[M]- 257.10172 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