CID 9649324

2-(2-(4-butoxybenzylidene)hydrazino)-n-(2,3-dichlorophenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C19H19Cl2N3O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3O3/c1-2-3-11-27-14-9-7-13(8-10-14)12-22-24-19(26)18(25)23-16-6-4-5-15(20)17(16)21/h4-10,12H,2-3,11H2,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKey
KNQAWEYSOWGLEQ-WSDLNYQXSA-N
Compound name
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08763 195.5
[M+Na]+ 430.06957 202.0
[M-H]- 406.07307 202.6
[M+NH4]+ 425.11417 207.5
[M+K]+ 446.04351 196.1
[M+H-H2O]+ 390.07761 187.9
[M+HCOO]- 452.07855 212.5
[M+CH3COO]- 466.09420 228.4
[M+Na-2H]- 428.05502 196.7
[M]+ 407.07980 201.7
[M]- 407.08090 201.7
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.