CID 24212872

3-(2-bromophenyl)-n-(4-butylphenyl)propanamide

Structural Information

Molecular Formula
C19H22BrNO
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC=CC=C2Br
InChI
InChI=1S/C19H22BrNO/c1-2-3-6-15-9-12-17(13-10-15)21-19(22)14-11-16-7-4-5-8-18(16)20/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,21,22)
InChIKey
BNDVAIFVCQUJSB-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-N-(4-butylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08847 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09575 180.2
[M+Na]+ 382.07769 188.3
[M-H]- 358.08119 188.4
[M+NH4]+ 377.12229 196.3
[M+K]+ 398.05163 175.2
[M+H-H2O]+ 342.08573 177.8
[M+HCOO]- 404.08667 200.6
[M+CH3COO]- 418.10232 213.8
[M+Na-2H]- 380.06314 183.9
[M]+ 359.08792 199.5
[M]- 359.08902 199.5
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

No patent data available for this compound.