CID 9633603

N-(2-(2-(2,4-dichlorobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H19Cl2N3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3O3/c1-2-9-27-16-7-4-13(5-8-16)19(26)22-12-18(25)24-23-11-14-3-6-15(20)10-17(14)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,26)(H,24,25)/b23-11+
InChIKey
IWJLKLBXMZUKLZ-FOKLQQMPSA-N
Compound name
N-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08763 195.2
[M+Na]+ 430.06957 201.6
[M-H]- 406.07307 202.2
[M+NH4]+ 425.11417 207.1
[M+K]+ 446.04351 195.6
[M+H-H2O]+ 390.07761 187.6
[M+HCOO]- 452.07855 212.1
[M+CH3COO]- 466.09420 229.1
[M+Na-2H]- 428.05502 196.4
[M]+ 407.07980 201.5
[M]- 407.08090 201.5
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.