CID 45054664

N-(2-(2-(4-butoxybenzylidene)hydrazino)-2-oxoethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C21H25N3O3/c1-3-4-13-27-19-11-7-17(8-12-19)14-23-24-20(25)15-22-21(26)18-9-5-16(2)6-10-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)(H,24,25)/b23-14+
InChIKey
DETSJMJPZMEBKW-OEAKJJBVSA-N
Compound name
N-[2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 190.1
[M+Na]+ 390.17882 193.4
[M-H]- 366.18232 197.2
[M+NH4]+ 385.22342 201.7
[M+K]+ 406.15276 189.9
[M+H-H2O]+ 350.18686 180.0
[M+HCOO]- 412.18780 215.8
[M+CH3COO]- 426.20345 226.5
[M+Na-2H]- 388.16427 192.3
[M]+ 367.18905 192.7
[M]- 367.19015 192.7
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.