CID 16428303

5-(3-chlorophenyl)-4-((1-naphthylmethylene)amino)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C19H13ClN4S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H13ClN4S/c20-16-9-4-7-14(11-16)18-22-23-19(25)24(18)21-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-12H,(H,23,25)/b21-12+
InChIKey
YAOSGBWKKVWMDE-CIAFOILYSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.05493 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06221 183.7
[M+Na]+ 387.04415 196.8
[M-H]- 363.04765 191.6
[M+NH4]+ 382.08875 196.5
[M+K]+ 403.01809 186.5
[M+H-H2O]+ 347.05219 174.3
[M+HCOO]- 409.05313 197.6
[M+CH3COO]- 423.06878 194.8
[M+Na-2H]- 385.02960 186.9
[M]+ 364.05438 188.4
[M]- 364.05548 188.4
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.