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

2
Patents

261.1365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 159.4
[M+Na]+ 284.125718 167.3
[M-H]- 260.129224 162.4
[M+NH4]+ 279.170323 177.7
[M+K]+ 300.099658 164.5
[M+H-H2O]+ 244.133760 151.9
[M+HCOO]- 306.134701 175.1
[M+CH3COO]- 320.150351 201.0
[M+Na-2H]- 282.111166 163.7
[M]+ 261.13595142 161.0
[M]- 261.13704858 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