CID 3047240

Brn 1508155

Structural Information

Molecular Formula
C21H29NO4
SMILES
COC1=C(C2=C3C(CCC24CCCC4)N(CCC3=C1)CC(=O)OC)OC
InChI
InChI=1S/C21H29NO4/c1-24-16-12-14-7-11-22(13-17(23)25-2)15-6-10-21(8-4-5-9-21)19(18(14)15)20(16)26-3/h12,15H,4-11,13H2,1-3H3
InChIKey
BDMZNYWFPZEGCH-UHFFFAOYSA-N
Compound name
methyl 2-(5,6-dimethoxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.20966 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21694 187.4
[M+Na]+ 382.19888 197.3
[M+NH4]+ 377.24348 196.8
[M+K]+ 398.17282 190.4
[M-H]- 358.20238 189.3
[M+Na-2H]- 380.18433 189.4
[M]+ 359.20911 189.3
[M]- 359.21021 189.3
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.