CID 11987779

(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-octahydroindolo[2,3-a]quinolizin-7(6h)-one

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1CCN2CC(=O)C3=C([C@@H]2C1)NC4=CC=CC=C43
InChI
InChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1
InChIKey
PGKUSHWBQJPFOP-LBPRGKRZSA-N
Compound name
(12bS)-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 153.1
[M+Na]+ 263.11549 161.4
[M-H]- 239.11899 154.9
[M+NH4]+ 258.16009 172.1
[M+K]+ 279.08943 155.1
[M+H-H2O]+ 223.12353 145.1
[M+HCOO]- 285.12447 167.6
[M+CH3COO]- 299.14012 164.0
[M+Na-2H]- 261.10094 158.4
[M]+ 240.12572 148.8
[M]- 240.12682 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe