CID 6864892

N'-[(1e,2z)-2-bromo-3-phenylprop-2-en-1-ylidene]-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 214.6
[M+Na]+ 588.02312 220.1
[M+NH4]+ 583.06772 217.5
[M+K]+ 603.99706 216.6
[M-H]- 564.02662 219.9
[M+Na-2H]- 586.00857 221.4
[M]+ 565.03335 216.4
[M]- 565.03445 216.4
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.