CID 3068008

1,2,3,4,6,7,12,12b-octahydro-12,12b-dimethyl-3-ethyl-indolo(2,3-a)quinolizine

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC1CCC2(C3=C(CCN2C1)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C19H26N2/c1-4-14-9-11-19(2)18-16(10-12-21(19)13-14)15-7-5-6-8-17(15)20(18)3/h5-8,14H,4,9-13H2,1-3H3
InChIKey
WMMGQLZTEGPXHH-UHFFFAOYSA-N
Compound name
3-ethyl-12,12b-dimethyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 170.7
[M+Na]+ 305.19882 179.5
[M-H]- 281.20232 173.8
[M+NH4]+ 300.24342 191.2
[M+K]+ 321.17276 173.0
[M+H-H2O]+ 265.20686 161.7
[M+HCOO]- 327.20780 184.9
[M+CH3COO]- 341.22345 181.3
[M+Na-2H]- 303.18427 174.0
[M]+ 282.20905 169.2
[M]- 282.21015 169.2
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.