CID 24212874

3-(2-bromophenyl)-n-(2,4-dimethylphenyl)propanamide

Structural Information

Molecular Formula
C17H18BrNO
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC=CC=C2Br)C
InChI
InChI=1S/C17H18BrNO/c1-12-7-9-16(13(2)11-12)19-17(20)10-8-14-5-3-4-6-15(14)18/h3-7,9,11H,8,10H2,1-2H3,(H,19,20)
InChIKey
HXJBGUBCBWLQEX-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0572 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.064476 170.7
[M+Na]+ 354.046418 180.5
[M-H]- 330.049924 179.7
[M+NH4]+ 349.091023 188.2
[M+K]+ 370.020358 167.9
[M+H-H2O]+ 314.054460 168.8
[M+HCOO]- 376.055401 191.7
[M+CH3COO]- 390.071051 209.3
[M+Na-2H]- 352.031866 174.8
[M]+ 331.05665142 189.7
[M]- 331.05774858 189.7
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.