CID 3038310

Gpa 1658

Structural Information

Molecular Formula
C20H23NO
SMILES
C[C@H]1[C@@H]2CC3=C([C@]1(CCN2C)C4=CC=CC=C4)C=C(C=C3)O
InChI
InChI=1S/C20H23NO/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16/h3-9,13-14,19,22H,10-12H2,1-2H3/t14-,19-,20-/m0/s1
InChIKey
AUNUENZTLHCVBC-GKCIPKSASA-N
Compound name
(1S,9S,13R)-10,13-dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

293.17798 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 172.3
[M+Na]+ 316.16720 187.7
[M+NH4]+ 311.21180 184.2
[M+K]+ 332.14114 176.0
[M-H]- 292.17070 177.4
[M+Na-2H]- 314.15265 179.6
[M]+ 293.17743 176.3
[M]- 293.17853 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.