CID 7346990

N-(4-bromophenyl)-4-(2-(1-(4-methylphenyl)ethylidene)hydrazino)-4-oxobutanamide

Structural Information

Molecular Formula
C19H20BrN3O2
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)Br)/C
InChI
InChI=1S/C19H20BrN3O2/c1-13-3-5-15(6-4-13)14(2)22-23-19(25)12-11-18(24)21-17-9-7-16(20)8-10-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,25)/b22-14+
InChIKey
ZGNKDPBKMNGCSY-HYARGMPZSA-N
Compound name
N-(4-bromophenyl)-N'-[(E)-1-(4-methylphenyl)ethylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.07388 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08116 187.5
[M+Na]+ 424.06310 193.8
[M-H]- 400.06660 196.7
[M+NH4]+ 419.10770 201.3
[M+K]+ 440.03704 181.7
[M+H-H2O]+ 384.07114 183.1
[M+HCOO]- 446.07208 209.5
[M+CH3COO]- 460.08773 226.5
[M+Na-2H]- 422.04855 190.0
[M]+ 401.07333 205.4
[M]- 401.07443 205.4
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.