CID 9663918

N-(2-(2-(4-butoxybenzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C22H27N3O5
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C22H27N3O5/c1-4-5-12-30-18-9-6-16(7-10-18)14-24-25-21(26)15-23-22(27)17-8-11-19(28-2)20(13-17)29-3/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26)/b24-14+
InChIKey
XJYCNARBWYUVFZ-ZVHZXABRSA-N
Compound name
N-[2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.19507 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20235 199.6
[M+Na]+ 436.18429 202.9
[M-H]- 412.18779 206.9
[M+NH4]+ 431.22889 209.4
[M+K]+ 452.15823 200.9
[M+H-H2O]+ 396.19233 189.0
[M+HCOO]- 458.19327 225.3
[M+CH3COO]- 472.20892 235.1
[M+Na-2H]- 434.16974 200.9
[M]+ 413.19452 205.7
[M]- 413.19562 205.7
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.