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]+ 309.059706 161.9
[M+Na]+ 331.041648 172.5
[M-H]- 307.045154 165.4
[M+NH4]+ 326.086253 178.1
[M+K]+ 347.015588 159.7
[M+H-H2O]+ 291.049690 153.5
[M+HCOO]- 353.050631 181.3
[M+CH3COO]- 367.066281 213.5
[M+Na-2H]- 329.027096 166.2
[M]+ 308.05188142 174.5
[M]- 308.05297858 174.5
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.