CID 205113

Brn 1540523

Structural Information

Molecular Formula
C14H17NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC3=O)O)OC
InChI
InChI=1S/C14H17NO3/c1-15-6-5-8-7-11(18-2)14(17)13-10(16)4-3-9(15)12(8)13/h7,9,17H,3-6H2,1-2H3
InChIKey
VNNHVWOIKOVAAV-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methoxy-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

0
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.3
[M+Na]+ 270.11007 163.3
[M-H]- 246.11357 157.2
[M+NH4]+ 265.15467 173.5
[M+K]+ 286.08401 159.8
[M+H-H2O]+ 230.11811 148.5
[M+HCOO]- 292.11905 169.9
[M+CH3COO]- 306.13470 195.6
[M+Na-2H]- 268.09552 159.7
[M]+ 247.12030 154.8
[M]- 247.12140 154.8
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.