CID 45054315

4-methoxy-n-(2-oxo-2-(2-(3-phenoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C23H21N3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C23H21N3O4/c1-29-19-12-10-18(11-13-19)23(28)24-16-22(27)26-25-15-17-6-5-9-21(14-17)30-20-7-3-2-4-8-20/h2-15H,16H2,1H3,(H,24,28)(H,26,27)/b25-15+
InChIKey
NVFKTIKYCZODMK-MFKUBSTISA-N
Compound name
4-methoxy-N-[2-oxo-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.160476 195.4
[M+Na]+ 426.142418 198.6
[M-H]- 402.145924 205.6
[M+NH4]+ 421.187023 204.7
[M+K]+ 442.116358 195.2
[M+H-H2O]+ 386.150460 183.9
[M+HCOO]- 448.151401 221.7
[M+CH3COO]- 462.167051 230.6
[M+Na-2H]- 424.127866 199.4
[M]+ 403.15265142 197.3
[M]- 403.15374858 197.3
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.