CID 3038709

Brn 0848212

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC34C(=O)NC(=O)N4)O)OC
InChI
InChI=1S/C16H19N3O4/c1-19-6-4-8-7-10(23-2)13(20)12-11(8)9(19)3-5-16(12)14(21)17-15(22)18-16/h7,9,20H,3-6H2,1-2H3,(H2,17,18,21,22)
InChIKey
FLHQUXGYMHGRQN-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 175.8
[M+Na]+ 340.12676 183.9
[M-H]- 316.13026 174.6
[M+NH4]+ 335.17136 190.9
[M+K]+ 356.10070 177.9
[M+H-H2O]+ 300.13480 168.2
[M+HCOO]- 362.13574 183.4
[M+CH3COO]- 376.15139 184.0
[M+Na-2H]- 338.11221 176.7
[M]+ 317.13699 171.3
[M]- 317.13809 171.3
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.