CID 3047235

63080-45-5

Structural Information

Molecular Formula
C19H27NO2
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC34CCCC4)OC)OC
InChI
InChI=1S/C19H27NO2/c1-20-11-7-13-12-15(21-2)18(22-3)17-16(13)14(20)6-10-19(17)8-4-5-9-19/h12,14H,4-11H2,1-3H3
InChIKey
CFNLBZKOZSWXMG-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 173.8
[M+Na]+ 324.19342 185.5
[M+NH4]+ 319.23802 185.2
[M+K]+ 340.16736 177.2
[M-H]- 300.19692 177.3
[M+Na-2H]- 322.17887 177.5
[M]+ 301.20365 176.6
[M]- 301.20475 176.6
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.