CID 3439608

477319-98-5

Structural Information

Molecular Formula
C17H18BrNO2
SMILES
CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H18BrNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3
InChIKey
PBPXIMBNPFLXEM-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-ethoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0521 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05938 173.6
[M+Na]+ 370.04132 182.3
[M-H]- 346.04482 182.1
[M+NH4]+ 365.08592 190.0
[M+K]+ 386.01526 170.2
[M+H-H2O]+ 330.04936 171.2
[M+HCOO]- 392.05030 194.8
[M+CH3COO]- 406.06595 210.7
[M+Na-2H]- 368.02677 178.4
[M]+ 347.05155 193.6
[M]- 347.05265 193.6
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.