CID 9345

303-75-3

Structural Information

Molecular Formula
C21H33NO3
SMILES
CCC1(CC2C3=CC(=C(C=C3CCN2CC1CC(C)C)OC)OC)O
InChI
InChI=1S/C21H33NO3/c1-6-21(23)12-18-17-11-20(25-5)19(24-4)10-15(17)7-8-22(18)13-16(21)9-14(2)3/h10-11,14,16,18,23H,6-9,12-13H2,1-5H3
InChIKey
TUNMGCULOKMBNJ-UHFFFAOYSA-N
Compound name
2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

98
References

2
Patents

347.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.25331 187.4
[M+Na]+ 370.23525 192.7
[M-H]- 346.23875 188.8
[M+NH4]+ 365.27985 203.1
[M+K]+ 386.20919 189.0
[M+H-H2O]+ 330.24329 179.7
[M+HCOO]- 392.24423 198.1
[M+CH3COO]- 406.25988 216.5
[M+Na-2H]- 368.22070 187.6
[M]+ 347.24548 187.7
[M]- 347.24658 187.7
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