CID 3059573

76777-23-6

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CC2CC(C3=C2C=C(C=C3)O)N(C1)CCC4=CC=CC=C4
InChI
InChI=1S/C20H23NO/c22-17-8-9-18-19(14-17)16-7-4-11-21(20(18)13-16)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,14,16,20,22H,4,7,10-13H2
InChIKey
XUJDEWVXHYPTFL-UHFFFAOYSA-N
Compound name
9-(2-phenylethyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.9
[M+Na]+ 316.16720 176.5
[M-H]- 292.17070 176.2
[M+NH4]+ 311.21180 187.8
[M+K]+ 332.14114 173.1
[M+H-H2O]+ 276.17524 164.8
[M+HCOO]- 338.17618 186.3
[M+CH3COO]- 352.19183 180.7
[M+Na-2H]- 314.15265 173.8
[M]+ 293.17743 166.4
[M]- 293.17853 166.4
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.