CID 6482480

2'-amino-2'-deoxycytidine

Structural Information

Molecular Formula
C9H14N4O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N
InChI
InChI=1S/C9H14N4O4/c10-5-1-2-13(9(16)12-5)8-6(11)7(15)4(3-14)17-8/h1-2,4,6-8,14-15H,3,11H2,(H2,10,12,16)/t4-,6-,7-,8-/m1/s1
InChIKey
FECRKKQKJNKYNF-XVFCMESISA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1126
Patents

242.1015 Da
Monoisotopic Mass

-2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.