CID 16389464

N-[2-(3,4-dihydroxyphenyl)ethyl]octanamide

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-16(20)17-11-10-13-8-9-14(18)15(19)12-13/h8-9,12,18-19H,2-7,10-11H2,1H3,(H,17,20)
InChIKey
MGRVMTGNRVNIEL-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

64
Patents

279.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.0
[M+Na]+ 302.17266 173.4
[M-H]- 278.17616 169.1
[M+NH4]+ 297.21726 183.5
[M+K]+ 318.14660 169.5
[M+H-H2O]+ 262.18070 162.0
[M+HCOO]- 324.18164 189.0
[M+CH3COO]- 338.19729 200.1
[M+Na-2H]- 300.15811 170.0
[M]+ 279.18289 170.5
[M]- 279.18399 170.5
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