CID 51060695

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

Structural Information

Molecular Formula
C25H24BrN3O4
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C25H24BrN3O4/c1-2-32-22-11-8-19(9-12-22)25(31)27-16-24(30)29-28-15-20-14-21(26)10-13-23(20)33-17-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,27,31)(H,29,30)/b28-15+
InChIKey
QFXCVKVPPFTNBX-RWPZCVJISA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.09503 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.10231 212.3
[M+Na]+ 532.08425 217.2
[M-H]- 508.08775 223.7
[M+NH4]+ 527.12885 221.2
[M+K]+ 548.05819 205.4
[M+H-H2O]+ 492.09229 205.9
[M+HCOO]- 554.09323 234.5
[M+CH3COO]- 568.10888 243.6
[M+Na-2H]- 530.06970 214.9
[M]+ 509.09448 232.9
[M]- 509.09558 232.9
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.