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 161.9
[M+Na]+ 331.04165 172.5
[M-H]- 307.04515 165.4
[M+NH4]+ 326.08625 178.1
[M+K]+ 347.01559 159.7
[M+H-H2O]+ 291.04969 153.5
[M+HCOO]- 353.05063 181.3
[M+CH3COO]- 367.06628 213.5
[M+Na-2H]- 329.02710 166.2
[M]+ 308.05188 174.5
[M]- 308.05298 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.