CID 1048267

423735-93-7

Structural Information

Molecular Formula
C17H17BrN2O2
SMILES
CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
InChIKey
DFOVLSMXPWPCFH-UHFFFAOYSA-N
Compound name
2-bromo-N-[3-(butanoylamino)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

14
Patents

360.04733 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05461 176.4
[M+Na]+ 383.03655 184.1
[M-H]- 359.04005 184.8
[M+NH4]+ 378.08115 191.7
[M+K]+ 399.01049 171.7
[M+H-H2O]+ 343.04459 173.3
[M+HCOO]- 405.04553 197.6
[M+CH3COO]- 419.06118 214.4
[M+Na-2H]- 381.02200 180.3
[M]+ 360.04678 194.2
[M]- 360.04788 194.2
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

patents stripe