CID 24843861

93946-57-7

Structural Information

Molecular Formula
C18H20BrNO
SMILES
CC(CC1=CC=CC=C1)NCCC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C18H20BrNO/c1-14(13-15-5-3-2-4-6-15)20-12-11-18(21)16-7-9-17(19)10-8-16/h2-10,14,20H,11-13H2,1H3
InChIKey
MGYZFOMCPQWYOM-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(1-phenylpropan-2-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0728 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08008 172.0
[M+Na]+ 368.06202 175.4
[M+NH4]+ 363.10662 176.6
[M+K]+ 384.03596 173.7
[M-H]- 344.06552 175.1
[M+Na-2H]- 366.04747 177.0
[M]+ 345.07225 172.2
[M]- 345.07335 172.2
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.