CID 135684939

N-(4-bromophenyl)-4-(2-(4-ho-3-methoxybenzylidene)hydrazino)-4-oxobutanamide

Structural Information

Molecular Formula
C18H18BrN3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C18H18BrN3O4/c1-26-16-10-12(2-7-15(16)23)11-20-22-18(25)9-8-17(24)21-14-5-3-13(19)4-6-14/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)(H,22,25)/b20-11+
InChIKey
LFOFYZFLFYWBJS-RGVLZGJSSA-N
Compound name
N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

419.04807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05535 186.6
[M+Na]+ 442.03729 193.4
[M-H]- 418.04079 194.8
[M+NH4]+ 437.08189 199.1
[M+K]+ 458.01123 181.6
[M+H-H2O]+ 402.04533 181.9
[M+HCOO]- 464.04627 208.7
[M+CH3COO]- 478.06192 226.1
[M+Na-2H]- 440.02274 189.9
[M]+ 419.04752 205.9
[M]- 419.04862 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.