CID 3065262

Brn 2987221

Structural Information

Molecular Formula

C₁₇H₂₅NO₃

SMILES

COC1=C(C=CC(=C1)CC(=O)NC2CCCCCCC2)O

InChI

InChI=1S/C17H25NO3/c1-21-16-11-13(9-10-15(16)19)12-17(20)18-14-7-5-3-2-4-6-8-14/h9-11,14,19H,2-8,12H2,1H3,(H,18,20)

InChIKey

VSVWVWUICFMZLJ-UHFFFAOYSA-N

Compound name

N-cyclooctyl-2-(4-hydroxy-3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 291.18344 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.19072	161.3
[M+Na]+	314.17266	164.4
[M-H]-	290.17616	163.5
[M+NH4]+	309.21726	167.9
[M+K]+	330.14660	164.0
[M+H-H2O]+	274.18070	157.0
[M+HCOO]-	336.18164	169.4
[M+CH3COO]-	350.19729	230.3
[M+Na-2H]-	312.15811	159.9
[M]+	291.18289	159.4
[M]-	291.18399	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe