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]+ 314.175076 174.1
[M+Na]+ 336.157018 181.1
[M-H]- 312.160524 177.4
[M+NH4]+ 331.201623 190.9
[M+K]+ 352.130958 176.9
[M+H-H2O]+ 296.165060 165.3
[M+HCOO]- 358.166001 186.3
[M+CH3COO]- 372.181651 183.9
[M+Na-2H]- 334.142466 177.3
[M]+ 313.16725142 174.4
[M]- 313.16834858 174.4
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.