CID 9688209

4-(2-benzylidenehydrazino)-n-(4-bromophenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C17H16BrN3O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H16BrN3O2/c18-14-6-8-15(9-7-14)20-16(22)10-11-17(23)21-19-12-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)(H,21,23)/b19-12+
InChIKey
KYSPSYDYRMCDNC-XDHOZWIPSA-N
Compound name
N'-[(E)-benzylideneamino]-N-(4-bromophenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0426 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04988 177.0
[M+Na]+ 396.03182 178.5
[M+NH4]+ 391.07642 180.1
[M+K]+ 412.00576 177.6
[M-H]- 372.03532 180.0
[M+Na-2H]- 394.01727 181.5
[M]+ 373.04205 176.6
[M]- 373.04315 176.6
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.