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]+ 368.160476 187.3
[M+Na]+ 390.142418 191.2
[M-H]- 366.145924 194.6
[M+NH4]+ 385.187023 198.8
[M+K]+ 406.116358 188.1
[M+H-H2O]+ 350.150460 177.2
[M+HCOO]- 412.151401 213.7
[M+CH3COO]- 426.167051 224.3
[M+Na-2H]- 388.127866 190.1
[M]+ 367.15265142 190.1
[M]- 367.15374858 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.