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]+ 420.055346 186.6
[M+Na]+ 442.037288 193.4
[M-H]- 418.040794 194.8
[M+NH4]+ 437.081893 199.1
[M+K]+ 458.011228 181.6
[M+H-H2O]+ 402.045330 181.9
[M+HCOO]- 464.046271 208.7
[M+CH3COO]- 478.061921 226.1
[M+Na-2H]- 440.022736 189.9
[M]+ 419.04752142 205.9
[M]- 419.04861858 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.