CID 318346

67455-71-4

Structural Information

Molecular Formula
C36H48N2O6
SMILES
COC1=C(C=C2C3CC(=O)C(CN3CCC2=C1)CCCCCCC4CN5CCC6=CC(=C(C=C6C5CC4=O)OC)OC)OC
InChI
InChI=1S/C36H48N2O6/c1-41-33-15-23-11-13-37-21-25(31(39)19-29(37)27(23)17-35(33)43-3)9-7-5-6-8-10-26-22-38-14-12-24-16-34(42-2)36(44-4)18-28(24)30(38)20-32(26)40/h15-18,25-26,29-30H,5-14,19-22H2,1-4H3
InChIKey
BQHXKFJBKHOUMF-UHFFFAOYSA-N
Compound name
3-[6-(9,10-dimethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)hexyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.35126 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.35854 253.9
[M+Na]+ 627.34048 254.1
[M-H]- 603.34398 256.7
[M+NH4]+ 622.38508 256.0
[M+K]+ 643.31442 248.5
[M+H-H2O]+ 587.34852 238.4
[M+HCOO]- 649.34946 254.4
[M+CH3COO]- 663.36511 269.3
[M+Na-2H]- 625.32593 247.3
[M]+ 604.35071 253.7
[M]- 604.35181 253.7
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.