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 141.2
[M+Na]+ 244.99261 158.6
[M-H]- 220.99611 143.1
[M+NH4]+ 240.03721 161.9
[M+K]+ 260.96655 152.5
[M+H-H2O]+ 205.00065 137.1
[M+HCOO]- 267.00159 154.2
[M+CH3COO]- 281.01724 155.6
[M+Na-2H]- 242.97806 144.0
[M]+ 222.00284 148.0
[M]- 222.00394 148.0
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.