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 146.6
[M+Na]+ 250.01916 157.7
[M+NH4]+ 245.06376 153.7
[M+K]+ 265.99310 152.4
[M-H]- 226.02266 147.9
[M+Na-2H]- 248.00461 150.9
[M]+ 227.02939 149.2
[M]- 227.03049 149.2
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.