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]+ 269.164836 163.1
[M+Na]+ 291.146778 171.4
[M-H]- 267.150284 164.9
[M+NH4]+ 286.191383 181.2
[M+K]+ 307.120718 164.6
[M+H-H2O]+ 251.154820 155.0
[M+HCOO]- 313.155761 176.8
[M+CH3COO]- 327.171411 173.4
[M+Na-2H]- 289.132226 166.5
[M]+ 268.15701142 159.8
[M]- 268.15810858 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