CID 4181606

N-(2-(3-methoxy-4-methylphenyl)ethyl)hexanamide

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCC(=O)NCCC1=CC(=C(C=C1)C)OC
InChI
InChI=1S/C16H25NO2/c1-4-5-6-7-16(18)17-11-10-14-9-8-13(2)15(12-14)19-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKey
BLWKXKAHZMCDJL-UHFFFAOYSA-N
Compound name
N-[2-(3-methoxy-4-methylphenyl)ethyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.3
[M+Na]+ 286.177758 170.8
[M-H]- 262.181264 168.4
[M+NH4]+ 281.222363 182.2
[M+K]+ 302.151698 168.1
[M+H-H2O]+ 246.185800 158.2
[M+HCOO]- 308.186741 188.2
[M+CH3COO]- 322.202391 203.0
[M+Na-2H]- 284.163206 167.4
[M]+ 263.18799142 169.3
[M]- 263.18908858 169.3
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.