CID 45054191

3,4-dimethoxy-n-(2-(2-(2-me-3-ph-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C21H23N3O4
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C21H23N3O4/c1-15(11-16-7-5-4-6-8-16)13-23-24-20(25)14-22-21(26)17-9-10-18(27-2)19(12-17)28-3/h4-13H,14H2,1-3H3,(H,22,26)(H,24,25)/b15-11-,23-13+
InChIKey
GVAIIVJDWNMTKY-IVWXAOQYSA-N
Compound name
3,4-dimethoxy-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 192.4
[M+Na]+ 404.15807 195.5
[M-H]- 380.16157 199.6
[M+NH4]+ 399.20267 203.2
[M+K]+ 420.13201 192.9
[M+H-H2O]+ 364.16611 182.3
[M+HCOO]- 426.16705 217.4
[M+CH3COO]- 440.18270 228.2
[M+Na-2H]- 402.14352 193.5
[M]+ 381.16830 194.9
[M]- 381.16940 194.9
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.