CID 9590878

2-(2-(4-((4-cl-benzyl)oxy)benzylidene)hydrazino)-n-(4-ethoxy-ph)-2-oxoacetamide

Structural Information

Molecular Formula
C24H22ClN3O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H22ClN3O4/c1-2-31-21-13-9-20(10-14-21)27-23(29)24(30)28-26-15-17-5-11-22(12-6-17)32-16-18-3-7-19(25)8-4-18/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
UCGQCCBHUMOSKF-CVKSISIWSA-N
Compound name
N'-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.12988 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.13716 208.1
[M+Na]+ 474.11910 212.8
[M-H]- 450.12260 218.5
[M+NH4]+ 469.16370 216.9
[M+K]+ 490.09304 207.7
[M+H-H2O]+ 434.12714 197.4
[M+HCOO]- 496.12808 229.7
[M+CH3COO]- 510.14373 237.5
[M+Na-2H]- 472.10455 210.3
[M]+ 451.12933 213.4
[M]- 451.13043 213.4
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.