CID 40605

Acetamide, n-(5-(9h-purin-6-ylthio)-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C9H7N7OS2
SMILES
CC(=O)NC1=NN=C(S1)SC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C9H7N7OS2/c1-4(17)14-8-15-16-9(19-8)18-7-5-6(11-2-10-5)12-3-13-7/h2-3H,1H3,(H,14,15,17)(H,10,11,12,13)
InChIKey
PVEWNROTMCXVPS-UHFFFAOYSA-N
Compound name
N-[5-(7H-purin-6-ylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.01535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.02263 156.9
[M+Na]+ 316.00457 170.6
[M-H]- 292.00807 158.2
[M+NH4]+ 311.04917 169.9
[M+K]+ 331.97851 164.6
[M+H-H2O]+ 276.01261 150.6
[M+HCOO]- 338.01355 167.5
[M+CH3COO]- 352.02920 168.2
[M+Na-2H]- 313.99002 158.7
[M]+ 293.01480 161.5
[M]- 293.01590 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe