CID 10264211

Azd5904

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3
InChI
InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
InChIKey
RSPDBEVKURKEII-ZCFIWIBFSA-N
Compound name
3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

56
Patents

252.0681 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07538 153.2
[M+Na]+ 275.05732 165.3
[M-H]- 251.06082 155.3
[M+NH4]+ 270.10192 168.2
[M+K]+ 291.03126 160.5
[M+H-H2O]+ 235.06536 146.8
[M+HCOO]- 297.06630 166.1
[M+CH3COO]- 311.08195 165.1
[M+Na-2H]- 273.04277 153.6
[M]+ 252.06755 154.4
[M]- 252.06865 154.4
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