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 184.5
[M+Na]+ 374.14752 188.5
[M-H]- 350.15102 191.9
[M+NH4]+ 369.19212 196.7
[M+K]+ 390.12146 184.7
[M+H-H2O]+ 334.15556 174.7
[M+HCOO]- 396.15650 210.7
[M+CH3COO]- 410.17215 222.7
[M+Na-2H]- 372.13297 187.2
[M]+ 351.15775 186.0
[M]- 351.15885 186.0
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.