CID 11390847

Cytidine, 5-amino-2'-deoxy-

Structural Information

Molecular Formula
C9H14N4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)N)CO)O
InChI
InChI=1S/C9H14N4O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3,10H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey
ZTUSAASALKFYML-RRKCRQDMSA-N
Compound name
4,5-diamino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

242.1015 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10878 152.5
[M+Na]+ 265.09072 161.0
[M-H]- 241.09422 154.9
[M+NH4]+ 260.13532 165.8
[M+K]+ 281.06466 158.6
[M+H-H2O]+ 225.09876 144.9
[M+HCOO]- 287.09970 171.5
[M+CH3COO]- 301.11535 191.6
[M+Na-2H]- 263.07617 153.8
[M]+ 242.10095 149.4
[M]- 242.10205 149.4
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