CID 49408

Brn 1549094

Structural Information

Molecular Formula
C23H29NO
SMILES
CN1CCCCC1CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C23H29NO/c1-24-17-7-6-10-20(24)15-16-23(25)21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-5,8-9,11-12,20,25H,6-7,10,13-17H2,1H3
InChIKey
CSTOWSPJSWAWAI-UHFFFAOYSA-N
Compound name
2-[2-(1-methylpiperidin-2-yl)ethyl]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

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 184.8
[M+Na]+ 358.214118 188.7
[M-H]- 334.217624 190.2
[M+NH4]+ 353.258723 199.2
[M+K]+ 374.188058 185.4
[M+H-H2O]+ 318.222160 176.4
[M+HCOO]- 380.223101 196.9
[M+CH3COO]- 394.238751 192.6
[M+Na-2H]- 356.199566 187.6
[M]+ 335.22435142 177.2
[M]- 335.22544858 177.2
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.