CID 6115505

478258-27-4

Structural Information

Molecular Formula
C22H18BrNO2
SMILES
CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)OC3=CC=CC=C3)Br
InChI
InChI=1S/C22H18BrNO2/c1-16-14-18(11-12-21(16)23)24-22(25)13-10-17-6-5-9-20(15-17)26-19-7-3-2-4-8-19/h2-15H,1H3,(H,24,25)/b13-10+
InChIKey
CYBABSZUNJQWCY-JLHYYAGUSA-N
Compound name
(E)-N-(4-bromo-3-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0521 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05938 190.4
[M+Na]+ 430.04132 199.0
[M-H]- 406.04482 201.7
[M+NH4]+ 425.08592 204.1
[M+K]+ 446.01526 185.8
[M+H-H2O]+ 390.04936 187.0
[M+HCOO]- 452.05030 211.2
[M+CH3COO]- 466.06595 220.1
[M+Na-2H]- 428.02677 194.1
[M]+ 407.05155 208.9
[M]- 407.05265 208.9
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.