CID 586554

108790-62-1

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)O)C

InChI

InChI=1S/C16H20N2O2/c1-15-7-17-9-16(2,14(15)20)10-18(8-15)13(17)11-3-5-12(19)6-4-11/h3-6,13,19H,7-10H2,1-2H3

InChIKey

UPGONPAADHTFSG-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.15247 Da
Monoisotopic Mass: 1.4
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]+	273.159746	165.4
[M+Na]+	295.141688	170.9
[M-H]-	271.145194	160.8
[M+NH4]+	290.186293	187.5
[M+K]+	311.115628	166.2
[M+H-H2O]+	255.149730	155.7
[M+HCOO]-	317.150671	169.3
[M+CH3COO]-	331.166321	173.2
[M+Na-2H]-	293.127136	175.5
[M]+	272.15192142	166.6
[M]-	272.15301858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.