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 187.9
[M+Na]+ 382.19888 192.6
[M-H]- 358.20238 191.8
[M+NH4]+ 377.24348 205.4
[M+K]+ 398.17282 189.1
[M+H-H2O]+ 342.20692 179.6
[M+HCOO]- 404.20786 199.7
[M+CH3COO]- 418.22351 216.3
[M+Na-2H]- 380.18433 187.7
[M]+ 359.20911 188.1
[M]- 359.21021 188.1
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.