CID 51060683

N-(2-(2-(2-(benzyloxy)-5-br-benzylidene)hydrazino)-2-oxoethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C24H22BrN3O3
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C24H22BrN3O3/c1-17-7-9-19(10-8-17)24(30)26-15-23(29)28-27-14-20-13-21(25)11-12-22(20)31-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
VLYLZNGELAIOIE-MZJWZYIUSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.08444 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.09172 206.1
[M+Na]+ 502.07366 211.8
[M-H]- 478.07716 217.8
[M+NH4]+ 497.11826 216.3
[M+K]+ 518.04760 199.4
[M+H-H2O]+ 462.08170 200.2
[M+HCOO]- 524.08264 228.5
[M+CH3COO]- 538.09829 238.9
[M+Na-2H]- 500.05911 209.0
[M]+ 479.08389 225.2
[M]- 479.08499 225.2
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.