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

literature stripe

Patent stripe

patents stripe