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]+ 336.23218 184.7
[M+Na]+ 358.21412 187.8
[M-H]- 334.21762 189.7
[M+NH4]+ 353.25872 198.8
[M+K]+ 374.18806 184.2
[M+H-H2O]+ 318.22216 176.1
[M+HCOO]- 380.22310 196.9
[M+CH3COO]- 394.23875 192.2
[M+Na-2H]- 356.19957 188.1
[M]+ 335.22435 176.7
[M]- 335.22545 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.