CID 135630510

478255-10-6

Structural Information

Molecular Formula
C19H13ClN4OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/N3C(=NNC3=S)C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C19H13ClN4OS/c20-14-6-3-5-13(10-14)18-22-23-19(26)24(18)21-11-16-15-7-2-1-4-12(15)8-9-17(16)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey
JCNXZQHIGXHDMU-SRZZPIQSSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.04987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05715 186.8
[M+Na]+ 403.03909 200.0
[M-H]- 379.04259 193.9
[M+NH4]+ 398.08369 198.5
[M+K]+ 419.01303 189.7
[M+H-H2O]+ 363.04713 178.1
[M+HCOO]- 425.04807 199.5
[M+CH3COO]- 439.06372 197.4
[M+Na-2H]- 401.02454 189.3
[M]+ 380.04932 191.6
[M]- 380.05042 191.6
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.