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

literature stripe

Patent stripe

patents stripe