CID 65114

6-azacytidine

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C1=NN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H12N4O5/c9-4-1-10-12(8(16)11-4)7-6(15)5(14)3(2-13)17-7/h1,3,5-7,13-15H,2H2,(H2,9,11,16)/t3-,5-,6-,7-/m1/s1
InChIKey
OZQDLJNDRVBCST-SHUUEZRQSA-N
Compound name
5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

4371
Patents

244.08076 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08804 151.8
[M+Na]+ 267.06998 161.0
[M-H]- 243.07348 152.2
[M+NH4]+ 262.11458 163.4
[M+K]+ 283.04392 158.7
[M+H-H2O]+ 227.07802 144.1
[M+HCOO]- 289.07896 168.1
[M+CH3COO]- 303.09461 186.8
[M+Na-2H]- 265.05543 153.5
[M]+ 244.08021 150.1
[M]- 244.08131 150.1
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