CID 3047241

Brn 1597187

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC34CCCCC4=O)OC)OC
InChI
InChI=1S/C20H27NO3/c1-21-11-8-13-12-15(23-2)19(24-3)18-17(13)14(21)7-10-20(18)9-5-4-6-16(20)22/h12,14H,4-11H2,1-3H3
InChIKey
MKTHURZUANJMRB-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,2'-cyclohexane]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 180.1
[M+Na]+ 352.188318 185.6
[M-H]- 328.191824 183.9
[M+NH4]+ 347.232923 197.2
[M+K]+ 368.162258 181.4
[M+H-H2O]+ 312.196360 170.5
[M+HCOO]- 374.197301 190.7
[M+CH3COO]- 388.212951 188.9
[M+Na-2H]- 350.173766 182.3
[M]+ 329.19855142 177.2
[M]- 329.19964858 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.