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 169.8
[M+Na]+ 316.16720 181.2
[M+NH4]+ 311.21180 178.9
[M+K]+ 332.14114 175.4
[M-H]- 292.17070 173.4
[M+Na-2H]- 314.15265 174.5
[M]+ 293.17743 172.6
[M]- 293.17853 172.6
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.