CID 6886656

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

Structural Information

Molecular Formula
C24H19BrClN5OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19BrClN5OS/c1-16-2-12-21(13-3-16)31-23(18-6-10-20(26)11-7-18)29-30-24(31)33-15-22(32)28-27-14-17-4-8-19(25)9-5-17/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey
LYDASIDQVUMZOC-MZJWZYIUSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-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

539.01825 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.02553 207.7
[M+Na]+ 562.00747 219.6
[M-H]- 538.01097 220.6
[M+NH4]+ 557.05207 216.7
[M+K]+ 577.98141 203.6
[M+H-H2O]+ 522.01551 203.6
[M+HCOO]- 584.01645 219.9
[M+CH3COO]- 598.03210 218.3
[M+Na-2H]- 559.99292 209.1
[M]+ 539.01770 231.6
[M]- 539.01880 231.6
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.