CID 713638

5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-2,4-dihydro-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C7H9N5S2
SMILES
CC1=C(SC(=N1)N)C2=NNC(=S)N2C
InChI
InChI=1S/C7H9N5S2/c1-3-4(14-6(8)9-3)5-10-11-7(13)12(5)2/h1-2H3,(H2,8,9)(H,11,13)
InChIKey
CPTCQKPQQFKAHK-UHFFFAOYSA-N
Compound name
3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.02994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03722 148.0
[M+Na]+ 250.01916 159.5
[M+NH4]+ 245.06376 155.1
[M+K]+ 265.99310 154.3
[M-H]- 226.02266 149.4
[M+Na-2H]- 248.00461 152.0
[M]+ 227.02939 150.7
[M]- 227.03049 150.7
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

No patent data available for this compound.