CID 66001

Nicanartine

Structural Information

Molecular Formula

C₂₃H₃₃NO₂

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCOCC2=CN=CC=C2

InChI

InChI=1S/C23H33NO2/c1-22(2,3)19-13-17(14-20(21(19)25)23(4,5)6)10-8-12-26-16-18-9-7-11-24-15-18/h7,9,11,13-15,25H,8,10,12,16H2,1-6H3

InChIKey

YNBBIPPQHYZTQF-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-[3-(pyridin-3-ylmethoxy)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 132
Patents: 355.25113 Da
Monoisotopic Mass: 5.8
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]+	356.25841	192.4
[M+Na]+	378.24035	198.2
[M-H]-	354.24385	196.1
[M+NH4]+	373.28495	204.0
[M+K]+	394.21429	193.6
[M+H-H2O]+	338.24839	184.1
[M+HCOO]-	400.24933	208.0
[M+CH3COO]-	414.26498	216.1
[M+Na-2H]-	376.22580	194.8
[M]+	355.25058	196.1
[M]-	355.25168	196.1

Literature stripe

literature stripe

Patent stripe

patents stripe