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]+ 566.04118 214.5
[M+Na]+ 588.02312 224.7
[M-H]- 564.02662 226.9
[M+NH4]+ 583.06772 222.2
[M+K]+ 603.99706 208.5
[M+H-H2O]+ 548.03116 210.3
[M+HCOO]- 610.03210 225.4
[M+CH3COO]- 624.04775 224.0
[M+Na-2H]- 586.00857 215.0
[M]+ 565.03335 237.5
[M]- 565.03445 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.