CID 45017

5-bromo-2-methoxy-n-methyl-3-phenylbenzamide

Structural Information

Molecular Formula
C15H14BrNO2
SMILES
CNC(=O)C1=CC(=CC(=C1OC)C2=CC=CC=C2)Br
InChI
InChI=1S/C15H14BrNO2/c1-17-15(18)13-9-11(16)8-12(14(13)19-2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)
InChIKey
NGYXKOYBVFNFFH-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-N-methyl-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.02078 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02806 164.3
[M+Na]+ 342.01000 174.8
[M-H]- 318.01350 173.6
[M+NH4]+ 337.05460 182.2
[M+K]+ 357.98394 163.2
[M+H-H2O]+ 302.01804 162.5
[M+HCOO]- 364.01898 186.1
[M+CH3COO]- 378.03463 205.7
[M+Na-2H]- 339.99545 169.5
[M]+ 319.02023 184.0
[M]- 319.02133 184.0
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.