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]+ 311.03896 159.1
[M+Na]+ 333.02090 165.1
[M-H]- 309.02440 165.7
[M+NH4]+ 328.06550 173.8
[M+K]+ 348.99484 158.1
[M+H-H2O]+ 293.02894 157.3
[M+HCOO]- 355.02988 174.8
[M+CH3COO]- 369.04553 200.2
[M+Na-2H]- 331.00635 162.8
[M]+ 310.03113 168.3
[M]- 310.03223 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.