CID 3073770

6-methylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1h)-thione

Structural Information

Molecular Formula
C8H6N4S2
SMILES
CC1=CSC2=NC3=C(C=NN3)C(=S)N12
InChI
InChI=1S/C8H6N4S2/c1-4-3-14-8-10-6-5(2-9-11-6)7(13)12(4)8/h2-3H,1H3,(H,9,11)
InChIKey
LWOSTLQAJVYLEK-UHFFFAOYSA-N
Compound name
12-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.00339 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01067 143.9
[M+Na]+ 244.99261 158.5
[M+NH4]+ 240.03721 153.0
[M+K]+ 260.96655 151.3
[M-H]- 220.99611 144.9
[M+Na-2H]- 242.97806 148.3
[M]+ 222.00284 147.3
[M]- 222.00394 147.3
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.