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]+ 368.16048 187.0
[M+Na]+ 390.14242 190.8
[M-H]- 366.14592 194.3
[M+NH4]+ 385.18702 198.4
[M+K]+ 406.11636 187.7
[M+H-H2O]+ 350.15046 176.8
[M+HCOO]- 412.15140 213.4
[M+CH3COO]- 426.16705 224.9
[M+Na-2H]- 388.12787 189.8
[M]+ 367.15265 189.9
[M]- 367.15375 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.