CID 9633824

N-(2-oxo-2-(2-(3-phenoxybenzylidene)hydrazino)ethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C25H25N3O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H25N3O4/c1-2-15-31-21-13-11-20(12-14-21)25(30)26-18-24(29)28-27-17-19-7-6-10-23(16-19)32-22-8-4-3-5-9-22/h3-14,16-17H,2,15,18H2,1H3,(H,26,30)(H,28,29)/b27-17+
InChIKey
WZGZRFCJQGMENN-WPWMEQJKSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1845 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19178 204.1
[M+Na]+ 454.17372 206.4
[M-H]- 430.17722 213.9
[M+NH4]+ 449.21832 212.2
[M+K]+ 470.14766 202.6
[M+H-H2O]+ 414.18176 192.2
[M+HCOO]- 476.18270 229.7
[M+CH3COO]- 490.19835 236.4
[M+Na-2H]- 452.15917 207.1
[M]+ 431.18395 206.6
[M]- 431.18505 206.6
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.