CID 6884805

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

Structural Information

Molecular Formula
C27H26BrN5OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C27H26BrN5OS/c1-27(2,3)21-13-11-20(12-14-21)25-31-32-26(33(25)23-7-5-4-6-8-23)35-18-24(34)30-29-17-19-9-15-22(28)16-10-19/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+
InChIKey
SVMCEENNKHYERH-STBIYBPSSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.1041 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.11138 214.1
[M+Na]+ 570.09332 218.5
[M+NH4]+ 565.13792 216.8
[M+K]+ 586.06726 216.3
[M-H]- 546.09682 219.2
[M+Na-2H]- 568.07877 221.1
[M]+ 547.10355 215.5
[M]- 547.10465 215.5
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.