CID 532117

N-(1-naphthyl)hexanamide

Structural Information

Molecular Formula
C16H19NO
SMILES
CCCCCC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H19NO/c1-2-3-4-12-16(18)17-15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,2-4,12H2,1H3,(H,17,18)
InChIKey
WWCYIHPKOXDRJX-UHFFFAOYSA-N
Compound name
N-naphthalen-1-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

241.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.6
[M+Na]+ 264.135888 162.5
[M-H]- 240.139394 160.5
[M+NH4]+ 259.180493 174.9
[M+K]+ 280.109828 158.4
[M+H-H2O]+ 224.143930 149.5
[M+HCOO]- 286.144871 179.1
[M+CH3COO]- 300.160521 197.2
[M+Na-2H]- 262.121336 162.7
[M]+ 241.14612142 157.4
[M]- 241.14721858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe