CID 135810900

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(2-hydroxy-1-naphthyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C28H22ClN5O2S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H22ClN5O2S/c1-18-6-13-22(14-7-18)34-27(20-8-11-21(29)12-9-20)32-33-28(34)37-17-26(36)31-30-16-24-23-5-3-2-4-19(23)10-15-25(24)35/h2-16,35H,17H2,1H3,(H,31,36)/b30-16+
InChIKey
XVZKVHZLBQEPSW-OKCVXOCRSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.1183 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.12558 226.2
[M+Na]+ 550.10752 243.9
[M+NH4]+ 545.15212 232.9
[M+K]+ 566.08146 233.1
[M-H]- 526.11102 234.9
[M+Na-2H]- 548.09297 237.3
[M]+ 527.11775 232.1
[M]- 527.11885 232.1
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.