CID 2876787

423733-46-4

Structural Information

Molecular Formula
C17H18BrNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C17H18BrNO/c1-12-3-8-16(11-13(12)2)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-8,11,19H,9-10H2,1-2H3
InChIKey
OXYJFAZQWLNRBR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(3,4-dimethylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0572 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06448 168.0
[M+Na]+ 354.04642 172.6
[M+NH4]+ 349.09102 172.8
[M+K]+ 370.02036 170.6
[M-H]- 330.04992 171.4
[M+Na-2H]- 352.03187 173.2
[M]+ 331.05665 168.5
[M]- 331.05775 168.5
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.