CID 609734

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

Structural Information

Molecular Formula
C8H6N4OS
SMILES
CN1C2=C(C=N1)C(=O)N3C=CSC3=N2
InChI
InChI=1S/C8H6N4OS/c1-11-6-5(4-9-11)7(13)12-2-3-14-8(12)10-6/h2-4H,1H3
InChIKey
BJRGPHUGHNOFHY-UHFFFAOYSA-N
Compound name
6-methyl-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

0
References

4
Patents

206.02623 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03351 139.5
[M+Na]+ 229.01545 156.2
[M-H]- 205.01895 142.7
[M+NH4]+ 224.06005 160.7
[M+K]+ 244.98939 152.2
[M+H-H2O]+ 189.02349 133.5
[M+HCOO]- 251.02443 159.0
[M+CH3COO]- 265.04008 154.8
[M+Na-2H]- 227.00090 144.7
[M]+ 206.02568 147.9
[M]- 206.02678 147.9
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