CID 9633263

N-(2-oxo-2-(2-(2,3,4-trimethoxybenzylidene)hydrazino)ethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C22H27N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C22H27N3O6/c1-5-12-31-17-9-6-15(7-10-17)22(27)23-14-19(26)25-24-13-16-8-11-18(28-2)21(30-4)20(16)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,23,27)(H,25,26)/b24-13+
InChIKey
SHLRMZJTJOFQLH-ZMOGYAJESA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.18997 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.19725 202.1
[M+Na]+ 452.17919 206.0
[M-H]- 428.18269 209.7
[M+NH4]+ 447.22379 211.4
[M+K]+ 468.15313 204.9
[M+H-H2O]+ 412.18723 191.4
[M+HCOO]- 474.18817 227.8
[M+CH3COO]- 488.20382 238.6
[M+Na-2H]- 450.16464 202.9
[M]+ 429.18942 210.0
[M]- 429.19052 210.0
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.