CID 9662038

N-(2-(2-(2-(allyloxy)-5-br-benzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C20H20BrN3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC=C
InChI
InChI=1S/C20H20BrN3O3/c1-3-10-27-18-9-8-16(21)11-15(18)12-23-24-19(25)13-22-20(26)17-7-5-4-6-14(17)2/h3-9,11-12H,1,10,13H2,2H3,(H,22,26)(H,24,25)/b23-12+
InChIKey
KHKJVHMIQQMHTM-FSJBWODESA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07608 191.5
[M+Na]+ 452.05802 192.6
[M+NH4]+ 447.10262 193.3
[M+K]+ 468.03196 191.8
[M-H]- 428.06152 193.7
[M+Na-2H]- 450.04347 194.3
[M]+ 429.06825 190.8
[M]- 429.06935 190.8
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.