CID 45054571

N-(2-(2-(2-(allyloxy)benzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC=C
InChI
InChI=1S/C20H21N3O3/c1-3-12-26-18-11-7-5-9-16(18)13-22-23-19(24)14-21-20(25)17-10-6-4-8-15(17)2/h3-11,13H,1,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKey
CBGJBTOEGDWKCL-LPYMAVHISA-N
Compound name
2-methyl-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 186.0
[M+Na]+ 374.14752 196.0
[M+NH4]+ 369.19212 191.2
[M+K]+ 390.12146 189.0
[M-H]- 350.15102 190.1
[M+Na-2H]- 372.13297 192.6
[M]+ 351.15775 188.1
[M]- 351.15885 188.1
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.