CID 9621499

3,4-dimethoxy-n-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C20H21N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C20H21N3O4/c1-26-17-11-10-16(13-18(17)27-2)20(25)21-14-19(24)23-22-12-6-9-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,21,25)(H,23,24)/b9-6+,22-12+
InChIKey
RIMTUNZGJJUFDC-OGMQXUJQSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

367.1532 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 187.3
[M+Na]+ 390.14242 191.2
[M-H]- 366.14592 194.6
[M+NH4]+ 385.18702 198.8
[M+K]+ 406.11636 188.1
[M+H-H2O]+ 350.15046 177.2
[M+HCOO]- 412.15140 213.7
[M+CH3COO]- 426.16705 224.3
[M+Na-2H]- 388.12787 190.1
[M]+ 367.15265 190.1
[M]- 367.15375 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.