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]+ 294.185256 171.8
[M+Na]+ 316.167198 179.0
[M-H]- 292.170704 175.5
[M+NH4]+ 311.211803 189.8
[M+K]+ 332.141138 172.6
[M+H-H2O]+ 276.175240 162.6
[M+HCOO]- 338.176181 184.8
[M+CH3COO]- 352.191831 181.6
[M+Na-2H]- 314.152646 177.0
[M]+ 293.17743142 168.2
[M]- 293.17852858 168.2
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.