CID 5271562

Chembl3273932

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC1(C(CC(C(O1)OC)NC)O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO3/c1-20(18(22)13-17(21-2)19(23-3)24-20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-19,21-22H,13H2,1-3H3
InChIKey
YJPJAMGPVRJHFQ-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-5-(methylamino)-2-(4-phenylphenyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.4
[M+Na]+ 350.17266 185.0
[M-H]- 326.17616 188.2
[M+NH4]+ 345.21726 193.0
[M+K]+ 366.14660 182.1
[M+H-H2O]+ 310.18070 170.6
[M+HCOO]- 372.18164 197.9
[M+CH3COO]- 386.19729 210.0
[M+Na-2H]- 348.15811 182.7
[M]+ 327.18289 178.0
[M]- 327.18399 178.0
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.