CID 6451638

3967-32-6

Structural Information

Molecular Formula
C21H23NO
SMILES
CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
InChI
InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
InChIKey
NPSCPXDYXVEYQW-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 173.7
[M+Na]+ 328.16720 186.9
[M+NH4]+ 323.21180 184.1
[M+K]+ 344.14114 177.3
[M-H]- 304.17070 178.9
[M+Na-2H]- 326.15265 182.2
[M]+ 305.17743 177.5
[M]- 305.17853 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.