CID 9444

5-azacytidine

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
InChIKey
NMUSYJAQQFHJEW-KVTDHHQDSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

8688
References

101667
Patents

244.08076 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08804 152.3
[M+Na]+ 267.06998 161.4
[M+NH4]+ 262.11458 155.8
[M+K]+ 283.04392 162.2
[M-H]- 243.07348 152.0
[M+Na-2H]- 265.05543 153.5
[M]+ 244.08021 152.8
[M]- 244.08131 152.8
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