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 185.9
[M+Na]+ 380.18322 195.4
[M+NH4]+ 375.22782 194.9
[M+K]+ 396.15716 189.4
[M-H]- 356.18672 187.3
[M+Na-2H]- 378.16867 187.5
[M]+ 357.19345 187.5
[M]- 357.19455 187.5
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.