CID 3073764

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1h)-one

Structural Information

Molecular Formula
C7H4N4OS
SMILES
C1=CSC2=NC3=C(C=NN3)C(=O)N21
InChI
InChI=1S/C7H4N4OS/c12-6-4-3-8-10-5(4)9-7-11(6)1-2-13-7/h1-3H,(H,8,10)
InChIKey
SUIKOQQKAJOJIZ-UHFFFAOYSA-N
Compound name
10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

192.01057 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01785 134.4
[M+Na]+ 214.99979 150.4
[M-H]- 191.00329 136.1
[M+NH4]+ 210.04439 155.3
[M+K]+ 230.97373 145.8
[M+H-H2O]+ 175.00783 128.7
[M+HCOO]- 237.00877 152.9
[M+CH3COO]- 251.02442 149.3
[M+Na-2H]- 212.98524 140.6
[M]+ 192.01002 140.4
[M]- 192.01112 140.4
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