CID 6864892

N'-[(e,2z)-2-bromo-3-phenyl-2-propenylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C26H21BrClN5OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C(=C/C3=CC=CC=C3)/Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H21BrClN5OS/c1-18-7-13-23(14-8-18)33-25(20-9-11-22(28)12-10-20)31-32-26(33)35-17-24(34)30-29-16-21(27)15-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,30,34)/b21-15-,29-16+
InChIKey
JVJDZSNLSLCVPH-ZGBFTUMVSA-N
Compound name
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.0339 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.041176 214.5
[M+Na]+ 588.023118 224.7
[M-H]- 564.026624 226.9
[M+NH4]+ 583.067723 222.2
[M+K]+ 603.997058 208.5
[M+H-H2O]+ 548.031160 210.3
[M+HCOO]- 610.032101 225.4
[M+CH3COO]- 624.047751 224.0
[M+Na-2H]- 586.008566 215.0
[M]+ 565.03335142 237.5
[M]- 565.03444858 237.5
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.