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 174.1
[M+Na]+ 336.15702 181.1
[M-H]- 312.16052 177.4
[M+NH4]+ 331.20162 190.9
[M+K]+ 352.13096 176.9
[M+H-H2O]+ 296.16506 165.3
[M+HCOO]- 358.16600 186.3
[M+CH3COO]- 372.18165 183.9
[M+Na-2H]- 334.14247 177.3
[M]+ 313.16725 174.4
[M]- 313.16835 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.