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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 183.6
[M+Na]+ 364.18832 188.8
[M-H]- 340.19182 193.6
[M+NH4]+ 359.23292 197.2
[M+K]+ 380.16226 187.2
[M+H-H2O]+ 324.19636 174.5
[M+HCOO]- 386.19730 202.3
[M+CH3COO]- 400.21295 216.2
[M+Na-2H]- 362.17377 185.6
[M]+ 341.19855 183.7
[M]- 341.19965 183.7
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

No patent data available for this compound.