CID 3003059

3-(2,4-dimethylthiazol-5-yl)-4-(2-naphthyl)-1h-1,2,4-triazole-5-thione

Structural Information

Molecular Formula
C17H14N4S2
SMILES
CC1=C(SC(=N1)C)C2=NNC(=S)N2C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C17H14N4S2/c1-10-15(23-11(2)18-10)16-19-20-17(22)21(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,20,22)
InChIKey
OZJLIWLXFSZCMI-UHFFFAOYSA-N
Compound name
3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-naphthalen-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.06598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07326 175.3
[M+Na]+ 361.05520 191.0
[M-H]- 337.05870 182.3
[M+NH4]+ 356.09980 190.0
[M+K]+ 377.02914 181.9
[M+H-H2O]+ 321.06324 169.2
[M+HCOO]- 383.06418 187.1
[M+CH3COO]- 397.07983 187.3
[M+Na-2H]- 359.04065 173.3
[M]+ 338.06543 180.6
[M]- 338.06653 180.6
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.