CID 45055004

N-(3-chloro-2-methylphenyl)-2-(2-(4-ethoxybenzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C18H18ClN3O3
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)C
InChI
InChI=1S/C18H18ClN3O3/c1-3-25-14-9-7-13(8-10-14)11-20-22-18(24)17(23)21-16-6-4-5-15(19)12(16)2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-11+
InChIKey
XZUOTRLOMOQRQB-RGVLZGJSSA-N
Compound name
N-(3-chloro-2-methylphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.10367 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11095 184.8
[M+Na]+ 382.09289 191.3
[M-H]- 358.09639 192.8
[M+NH4]+ 377.13749 198.2
[M+K]+ 398.06683 186.8
[M+H-H2O]+ 342.10093 176.5
[M+HCOO]- 404.10187 207.1
[M+CH3COO]- 418.11752 221.7
[M+Na-2H]- 380.07834 187.3
[M]+ 359.10312 189.2
[M]- 359.10422 189.2
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.