CID 241545

846-66-2

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
InChI
InChI=1S/C17H23NO3/c1-4-11-10-18-6-5-12-7-16(20-2)17(21-3)8-13(12)14(18)9-15(11)19/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKey
BOBCQOOZINHVMK-UHFFFAOYSA-N
Compound name
3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

289.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 167.9
[M+Na]+ 312.157018 174.9
[M-H]- 288.160524 171.1
[M+NH4]+ 307.201623 184.6
[M+K]+ 328.130958 171.5
[M+H-H2O]+ 272.165060 159.9
[M+HCOO]- 334.166001 182.8
[M+CH3COO]- 348.181651 205.9
[M+Na-2H]- 310.142466 170.6
[M]+ 289.16725142 168.2
[M]- 289.16834858 168.2
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.