CID 382390

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1h)-one, 6-methyl-

Structural Information

Molecular Formula
C8H6N4OS
SMILES
CC1=CSC2=NC3=C(C=NN3)C(=O)N12
InChI
InChI=1S/C8H6N4OS/c1-4-3-14-8-10-6-5(2-9-11-6)7(13)12(4)8/h2-3H,1H3,(H,9,11)
InChIKey
XNIFRFGBXNTKSI-UHFFFAOYSA-N
Compound name
12-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

0
Patents

206.02623 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03351 139.6
[M+Na]+ 229.01545 155.9
[M-H]- 205.01895 141.5
[M+NH4]+ 224.06005 160.2
[M+K]+ 244.98939 151.0
[M+H-H2O]+ 189.02349 134.0
[M+HCOO]- 251.02443 157.7
[M+CH3COO]- 265.04008 154.3
[M+Na-2H]- 227.00090 144.6
[M]+ 206.02568 146.3
[M]- 206.02678 146.3
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

No patent data available for this compound.