CID 3311305

4-bromo-n-(2-oxo-3-azepanyl)benzamide

Structural Information

Molecular Formula
C13H15BrN2O2
SMILES
C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H15BrN2O2/c14-10-6-4-9(5-7-10)12(17)16-11-3-1-2-8-15-13(11)18/h4-7,11H,1-3,8H2,(H,15,18)(H,16,17)
InChIKey
YLDKBRZWBRPBEJ-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-oxoazepan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03168 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.038956 159.1
[M+Na]+ 333.020898 165.1
[M-H]- 309.024404 165.7
[M+NH4]+ 328.065503 173.8
[M+K]+ 348.994838 158.1
[M+H-H2O]+ 293.028940 157.3
[M+HCOO]- 355.029881 174.8
[M+CH3COO]- 369.045531 200.2
[M+Na-2H]- 331.006346 162.8
[M]+ 310.03113142 168.3
[M]- 310.03222858 168.3
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.