CID 3047233

5,6-dimethoxy-2,3,7,8,9,9a-hexahydrospiro(1h-benzo(de)chinolin-7,1'-cyclopentan)-hydrochloride

Structural Information

Molecular Formula
C18H25NO2
SMILES
COC1=C(C2=C3C(CCC24CCCC4)NCCC3=C1)OC
InChI
InChI=1S/C18H25NO2/c1-20-14-11-12-6-10-19-13-5-9-18(7-3-4-8-18)16(15(12)13)17(14)21-2/h11,13,19H,3-10H2,1-2H3
InChIKey
ASDMWONHAOZAFT-UHFFFAOYSA-N
Compound name
5,6-dimethoxyspiro[1,2,3,8,9,9a-hexahydrobenzo[de]quinoline-7,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 169.9
[M+Na]+ 310.17776 175.1
[M-H]- 286.18126 172.7
[M+NH4]+ 305.22236 189.8
[M+K]+ 326.15170 170.0
[M+H-H2O]+ 270.18580 162.0
[M+HCOO]- 332.18674 182.0
[M+CH3COO]- 346.20239 179.3
[M+Na-2H]- 308.16321 172.1
[M]+ 287.18799 165.4
[M]- 287.18909 165.4
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.