CID 1383641

690642-82-1

Structural Information

Molecular Formula
C7H9N5S2
SMILES
CN1C(=NNC1=S)CC2=CSC(=N2)N
InChI
InChI=1S/C7H9N5S2/c1-12-5(10-11-7(12)13)2-4-3-14-6(8)9-4/h3H,2H2,1H3,(H2,8,9)(H,11,13)
InChIKey
RYIDJWVZDWSQCF-UHFFFAOYSA-N
Compound name
3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.02994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03722 143.7
[M+Na]+ 250.01916 157.8
[M-H]- 226.02266 146.0
[M+NH4]+ 245.06376 161.0
[M+K]+ 265.99310 151.5
[M+H-H2O]+ 210.02720 137.5
[M+HCOO]- 272.02814 157.1
[M+CH3COO]- 286.04379 156.7
[M+Na-2H]- 248.00461 142.0
[M]+ 227.02939 146.0
[M]- 227.03049 146.0
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.