CID 9639561

N-(2-(2-benzylidenehydrazino)-2-oxoethyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C18H19N3O3/c1-2-24-16-10-8-15(9-11-16)18(23)19-13-17(22)21-20-12-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,23)(H,21,22)/b20-12+
InChIKey
KMWJRHNAWGCAGT-UDWIEESQSA-N
Compound name
N-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 176.2
[M+Na]+ 348.13186 179.9
[M-H]- 324.13536 183.6
[M+NH4]+ 343.17646 189.3
[M+K]+ 364.10580 177.1
[M+H-H2O]+ 308.13990 166.5
[M+HCOO]- 370.14084 203.0
[M+CH3COO]- 384.15649 216.3
[M+Na-2H]- 346.11731 180.8
[M]+ 325.14209 177.4
[M]- 325.14319 177.4
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.