CID 2598750

N-(4-bromophenyl)-3-(4-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C16H16BrNO2
SMILES
COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H16BrNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-3,5-10H,4,11H2,1H3,(H,18,19)
InChIKey
BAJMXOPTGGNEEP-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

333.03644 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04372 167.3
[M+Na]+ 356.02566 171.3
[M+NH4]+ 351.07026 171.7
[M+K]+ 371.99960 169.8
[M-H]- 332.02916 170.2
[M+Na-2H]- 354.01111 172.5
[M]+ 333.03589 167.5
[M]- 333.03699 167.5
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

patents stripe