CID 9687969

3-bromo-n-(2-oxo-2-(2-(3,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H20BrN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C19H20BrN3O5/c1-26-15-7-12(8-16(27-2)18(15)28-3)10-22-23-17(24)11-21-19(25)13-5-4-6-14(20)9-13/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)/b22-10+
InChIKey
DMFNDCGRRNKDLB-LSHDLFTRSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.05862 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.06590 192.8
[M+Na]+ 472.04784 200.1
[M-H]- 448.05134 202.4
[M+NH4]+ 467.09244 204.9
[M+K]+ 488.02178 189.7
[M+H-H2O]+ 432.05588 187.5
[M+HCOO]- 494.05682 216.0
[M+CH3COO]- 508.07247 234.2
[M+Na-2H]- 470.03329 195.5
[M]+ 449.05807 215.8
[M]- 449.05917 215.8
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.