CID 956953

477334-14-8

Structural Information

Molecular Formula
C18H20BrNO
SMILES
CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C18H20BrNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3
InChIKey
NMGFSQGJRIPVSB-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-propan-2-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

345.0728 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08008 171.5
[M+Na]+ 368.06202 175.3
[M+NH4]+ 363.10662 176.1
[M+K]+ 384.03596 173.7
[M-H]- 344.06552 174.6
[M+Na-2H]- 366.04747 176.4
[M]+ 345.07225 171.8
[M]- 345.07335 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.