CID 29730

19661-02-0

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCN(CC1)CCCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C23H29NO/c25-23(15-8-18-24-16-6-1-7-17-24)21-11-4-2-9-19(21)13-14-20-10-3-5-12-22(20)23/h2-5,9-12,25H,1,6-8,13-18H2
InChIKey
BTIQMEMVSDDJFY-UHFFFAOYSA-N
Compound name
2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 184.7
[M+Na]+ 358.214118 187.8
[M-H]- 334.217624 189.7
[M+NH4]+ 353.258723 198.8
[M+K]+ 374.188058 184.2
[M+H-H2O]+ 318.222160 176.1
[M+HCOO]- 380.223101 196.9
[M+CH3COO]- 394.238751 192.2
[M+Na-2H]- 356.199566 188.1
[M]+ 335.22435142 176.7
[M]- 335.22544858 176.7
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.