CID 3047244

10h-dibenzo(de,g)quinolin-10-one, 4,5,6,6a,7,7a,8,9-octahydro-1,2-dimethoxy-6-methyl-, (z)-

Structural Information

Molecular Formula
C19H23NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1C[C@@H]4C3=CC(=O)CC4)OC)OC
InChI
InChI=1S/C19H23NO3/c1-20-7-6-12-9-16(22-2)19(23-3)18-14-10-13(21)5-4-11(14)8-15(20)17(12)18/h9-11,15H,4-8H2,1-3H3/t11-,15-/m1/s1
InChIKey
OXCVYSSNGXXPOM-IAQYHMDHSA-N
Compound name
(7R,9R)-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,13,15-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 173.7
[M+Na]+ 336.15702 187.5
[M+NH4]+ 331.20162 183.1
[M+K]+ 352.13096 179.3
[M-H]- 312.16052 176.8
[M+Na-2H]- 334.14247 176.0
[M]+ 313.16725 176.6
[M]- 313.16835 176.6
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.