CID 71671589

6-bromo-n-[(4-cyanophenyl)methyl]hexanamide

Structural Information

Molecular Formula
C14H17BrN2O
SMILES
C1=CC(=CC=C1CNC(=O)CCCCCBr)C#N
InChI
InChI=1S/C14H17BrN2O/c15-9-3-1-2-4-14(18)17-11-13-7-5-12(10-16)6-8-13/h5-8H,1-4,9,11H2,(H,17,18)
InChIKey
PQFYIDGUCQZAQK-UHFFFAOYSA-N
Compound name
6-bromo-N-[(4-cyanophenyl)methyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05971 165.6
[M+Na]+ 331.04165 167.8
[M+NH4]+ 326.08625 166.7
[M+K]+ 347.01559 163.4
[M-H]- 307.04515 160.0
[M+Na-2H]- 329.02710 165.8
[M]+ 308.05188 162.5
[M]- 308.05298 162.5
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.