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 171.8
[M+Na]+ 316.16720 179.0
[M-H]- 292.17070 175.5
[M+NH4]+ 311.21180 189.8
[M+K]+ 332.14114 172.6
[M+H-H2O]+ 276.17524 162.6
[M+HCOO]- 338.17618 184.8
[M+CH3COO]- 352.19183 181.6
[M+Na-2H]- 314.15265 177.0
[M]+ 293.17743 168.2
[M]- 293.17853 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.