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]+ 358.20128 186.8
[M+Na]+ 380.18322 191.5
[M-H]- 356.18672 190.8
[M+NH4]+ 375.22782 204.3
[M+K]+ 396.15716 188.0
[M+H-H2O]+ 340.19126 178.9
[M+HCOO]- 402.19220 197.8
[M+CH3COO]- 416.20785 215.9
[M+Na-2H]- 378.16867 185.5
[M]+ 357.19345 185.6
[M]- 357.19455 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.