CID 45054766

N-(2-(2-(3-(allyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C20H21N3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C20H21N3O4/c1-3-11-27-18-6-4-5-15(12-18)13-22-23-19(24)14-21-20(25)16-7-9-17(26-2)10-8-16/h3-10,12-13H,1,11,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKey
ZYTWEUOSQBABKH-LPYMAVHISA-N
Compound name
4-methoxy-N-[2-oxo-2-[(2E)-2-[(3-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.160476 187.0
[M+Na]+ 390.142418 190.8
[M-H]- 366.145924 194.3
[M+NH4]+ 385.187023 198.4
[M+K]+ 406.116358 187.7
[M+H-H2O]+ 350.150460 176.8
[M+HCOO]- 412.151401 213.4
[M+CH3COO]- 426.167051 224.9
[M+Na-2H]- 388.127866 189.8
[M]+ 367.15265142 189.9
[M]- 367.15374858 189.9
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.