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 225.3
[M+Na]+ 550.10752 235.0
[M-H]- 526.11102 235.9
[M+NH4]+ 545.15212 230.5
[M+K]+ 566.08146 225.1
[M+H-H2O]+ 510.11556 213.9
[M+HCOO]- 572.11650 237.6
[M+CH3COO]- 586.13215 232.8
[M+Na-2H]- 548.09297 226.1
[M]+ 527.11775 232.6
[M]- 527.11885 232.6
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.