CID 99722

35690-87-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC3=O)OC)OC
InChI
InChI=1S/C15H19NO3/c1-16-7-6-9-8-12(18-2)15(19-3)14-11(17)5-4-10(16)13(9)14/h8,10H,4-7H2,1-3H3
InChIKey
IKDQGVYHJNOUCS-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.1365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.4
[M+Na]+ 284.12572 167.3
[M-H]- 260.12922 162.4
[M+NH4]+ 279.17032 177.7
[M+K]+ 300.09966 164.5
[M+H-H2O]+ 244.13376 151.9
[M+HCOO]- 306.13470 175.1
[M+CH3COO]- 320.15035 201.0
[M+Na-2H]- 282.11117 163.7
[M]+ 261.13595 161.0
[M]- 261.13705 161.0
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

patents stripe