CID 135630552

160285-06-3

Structural Information

Molecular Formula
C19H13ClN4OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/N3C(=NNC3=S)C4=CC=CC=C4Cl)O
InChI
InChI=1S/C19H13ClN4OS/c20-16-8-4-3-7-14(16)18-22-23-19(26)24(18)21-11-15-13-6-2-1-5-12(13)9-10-17(15)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey
NDKTTYUWARTVMR-SRZZPIQSSA-N
Compound name
3-(2-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 186.9
[M+Na]+ 403.03909 205.0
[M+NH4]+ 398.08369 195.0
[M+K]+ 419.01303 194.8
[M-H]- 379.04259 192.9
[M+Na-2H]- 401.02454 196.8
[M]+ 380.04932 192.1
[M]- 380.05042 192.1
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.