CID 45054323

N-(2-(2-(3-chlorobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H20ClN3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C19H20ClN3O3/c1-2-10-26-17-8-6-15(7-9-17)19(25)21-13-18(24)23-22-12-14-4-3-5-16(20)11-14/h3-9,11-12H,2,10,13H2,1H3,(H,21,25)(H,23,24)/b22-12+
InChIKey
WCZPHUMKGFNQMO-WSDLNYQXSA-N
Compound name
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12660 188.6
[M+Na]+ 396.10854 193.6
[M-H]- 372.11204 196.0
[M+NH4]+ 391.15314 201.0
[M+K]+ 412.08248 188.8
[M+H-H2O]+ 356.11658 179.8
[M+HCOO]- 418.11752 210.5
[M+CH3COO]- 432.13317 224.0
[M+Na-2H]- 394.09399 191.3
[M]+ 373.11877 193.0
[M]- 373.11987 193.0
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.