CID 49408

67195-30-6

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]+ 336.23218 184.8
[M+Na]+ 358.21412 188.7
[M-H]- 334.21762 190.2
[M+NH4]+ 353.25872 199.2
[M+K]+ 374.18806 185.4
[M+H-H2O]+ 318.22216 176.4
[M+HCOO]- 380.22310 196.9
[M+CH3COO]- 394.23875 192.6
[M+Na-2H]- 356.19957 187.6
[M]+ 335.22435 177.2
[M]- 335.22545 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.