CID 9607849

4-(2-(5-br-2,4-dimethoxybenzylidene)hydrazino)n-(3-methylphenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C20H22BrN3O4
SMILES
CC1=CC(=CC=C1)NC(=O)CCC(=O)N/N=C/C2=CC(=C(C=C2OC)OC)Br
InChI
InChI=1S/C20H22BrN3O4/c1-13-5-4-6-15(9-13)23-19(25)7-8-20(26)24-22-12-14-10-16(21)18(28-3)11-17(14)27-2/h4-6,9-12H,7-8H2,1-3H3,(H,23,25)(H,24,26)/b22-12+
InChIKey
NVQTWQSIVWDZPK-WSDLNYQXSA-N
Compound name
N'-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.07938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.08666 195.5
[M+Na]+ 470.06860 202.8
[M-H]- 446.07210 205.0
[M+NH4]+ 465.11320 207.9
[M+K]+ 486.04254 191.4
[M+H-H2O]+ 430.07664 190.4
[M+HCOO]- 492.07758 218.3
[M+CH3COO]- 506.09323 234.9
[M+Na-2H]- 468.05405 197.5
[M]+ 447.07883 217.6
[M]- 447.07993 217.6
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.