CID 45054544

2-(2-(4-butoxybenzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)CC
InChI
InChI=1S/C21H25N3O3/c1-3-5-14-27-19-12-8-17(9-13-19)15-22-24-21(26)20(25)23-18-10-6-16(4-2)7-11-18/h6-13,15H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/b22-15+
InChIKey
CDPJNQLNVQWKHB-PXLXIMEGSA-N
Compound name
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 190.4
[M+Na]+ 390.17882 193.8
[M-H]- 366.18232 197.6
[M+NH4]+ 385.22342 202.1
[M+K]+ 406.15276 190.4
[M+H-H2O]+ 350.18686 180.3
[M+HCOO]- 412.18780 216.1
[M+CH3COO]- 426.20345 225.8
[M+Na-2H]- 388.16427 192.6
[M]+ 367.18905 192.9
[M]- 367.19015 192.9
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.