CID 3047239

Brn 1510830

Structural Information

Molecular Formula
C21H27NO4
SMILES
CC(=O)OC1=C(C2=C3C(CCC24CCCC4)N(CCC3=C1)C)OC(=O)C
InChI
InChI=1S/C21H27NO4/c1-13(23)25-17-12-15-7-11-22(3)16-6-10-21(8-4-5-9-21)19(18(15)16)20(17)26-14(2)24/h12,16H,4-11H2,1-3H3
InChIKey
SPJIFLQNUDDSSP-UHFFFAOYSA-N
Compound name
(6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.201276 186.8
[M+Na]+ 380.183218 191.5
[M-H]- 356.186724 190.8
[M+NH4]+ 375.227823 204.3
[M+K]+ 396.157158 188.0
[M+H-H2O]+ 340.191260 178.9
[M+HCOO]- 402.192201 197.8
[M+CH3COO]- 416.207851 215.9
[M+Na-2H]- 378.168666 185.5
[M]+ 357.19345142 185.6
[M]- 357.19454858 185.6
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.