CID 4170296

3-ethyl-3,4,6,7,12,12b-hexahydro-1h-indolo(2,3-a)quinolizin-2-one

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCC1CN2CCC3=C(C2CC1=O)NC4=CC=CC=C34
InChI
InChI=1S/C17H20N2O/c1-2-11-10-19-8-7-13-12-5-3-4-6-14(12)18-17(13)15(19)9-16(11)20/h3-6,11,15,18H,2,7-10H2,1H3
InChIKey
HIBBYIKNXPWWOI-UHFFFAOYSA-N
Compound name
3-ethyl-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.1
[M+Na]+ 291.14678 171.4
[M-H]- 267.15028 164.9
[M+NH4]+ 286.19138 181.2
[M+K]+ 307.12072 164.6
[M+H-H2O]+ 251.15482 155.0
[M+HCOO]- 313.15576 176.8
[M+CH3COO]- 327.17141 173.4
[M+Na-2H]- 289.13223 166.5
[M]+ 268.15701 159.8
[M]- 268.15811 159.8
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

patents stripe