CID 9662275

3-bromo-n-(2-(2-(3,4-dimethoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H18BrN3O4
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C18H18BrN3O4/c1-25-15-7-6-12(8-16(15)26-2)10-21-22-17(23)11-20-18(24)13-4-3-5-14(19)9-13/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKey
AQFIXXLTRWRDNJ-UFFVCSGVSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.04807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05535 187.1
[M+Na]+ 442.03729 188.1
[M+NH4]+ 437.08189 188.9
[M+K]+ 458.01123 188.3
[M-H]- 418.04079 189.2
[M+Na-2H]- 440.02274 190.1
[M]+ 419.04752 186.3
[M]- 419.04862 186.3
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.