CID 24212826

N-(3-bromophenyl)-3-(2-chloro-3-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C16H15BrClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H15BrClNO2/c1-21-14-7-2-4-11(16(14)18)8-9-15(20)19-13-6-3-5-12(17)10-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKey
QQWLPWOETMUGRB-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-3-(2-chloro-3-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.99747 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.00475 173.6
[M+Na]+ 389.98669 178.8
[M+NH4]+ 385.03129 178.3
[M+K]+ 405.96063 176.5
[M-H]- 365.99019 176.6
[M+Na-2H]- 387.97214 178.6
[M]+ 366.99692 174.4
[M]- 366.99802 174.4
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.