CID 45054326

N-(2-(2-(3-(allyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C21H23N3O4
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C21H23N3O4/c1-3-12-28-19-7-5-6-16(13-19)14-23-24-20(25)15-22-21(26)17-8-10-18(11-9-17)27-4-2/h3,5-11,13-14H,1,4,12,15H2,2H3,(H,22,26)(H,24,25)/b23-14+
InChIKey
HBQOXPYQQPBGNY-OEAKJJBVSA-N
Compound name
4-ethoxy-N-[2-oxo-2-[(2E)-2-[(3-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 191.4
[M+Na]+ 404.15807 194.7
[M-H]- 380.16157 198.5
[M+NH4]+ 399.20267 202.2
[M+K]+ 420.13201 191.4
[M+H-H2O]+ 364.16611 181.0
[M+HCOO]- 426.16705 217.4
[M+CH3COO]- 440.18270 227.9
[M+Na-2H]- 402.14352 193.7
[M]+ 381.16830 194.6
[M]- 381.16940 194.6
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.