CID 97577

3-deazacytidine

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
InChIKey
OGADSZTVCUXSOK-PEBGCTIMSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

242.09027 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.8
[M+Na]+ 265.07949 159.1
[M-H]- 241.08299 153.5
[M+NH4]+ 260.12409 165.3
[M+K]+ 281.05343 156.8
[M+H-H2O]+ 225.08753 144.4
[M+HCOO]- 287.08847 169.1
[M+CH3COO]- 301.10412 186.9
[M+Na-2H]- 263.06494 152.0
[M]+ 242.08972 148.8
[M]- 242.09082 148.8
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