CID 5271561

5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)tetrahydropyran-3-ol

Structural Information

Molecular Formula

C₂₁H₂₇NO₃

SMILES

CC1(C(CC(C(O1)OC)N(C)C)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO3/c1-21(19(23)14-18(22(2)3)20(24-4)25-21)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-20,23H,14H2,1-4H3

InChIKey

CCZCVKJXNJHBNZ-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-6-methoxy-2-methyl-2-(4-phenylphenyl)oxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 341.1991 Da
Monoisotopic Mass: 3.1
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]+	342.206376	183.6
[M+Na]+	364.188318	188.8
[M-H]-	340.191824	193.6
[M+NH4]+	359.232923	197.2
[M+K]+	380.162258	187.2
[M+H-H2O]+	324.196360	174.5
[M+HCOO]-	386.197301	202.3
[M+CH3COO]-	400.212951	216.2
[M+Na-2H]-	362.173766	185.6
[M]+	341.19855142	183.7
[M]-	341.19964858	183.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.