CID 3038710

41829-22-5

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC34C(=O)NC(=O)N4)O)O
InChI
InChI=1S/C15H17N3O4/c1-18-5-3-7-6-9(19)12(20)11-10(7)8(18)2-4-15(11)13(21)16-14(22)17-15/h6,8,19-20H,2-5H2,1H3,(H2,16,17,21,22)
InChIKey
HRLRDVNHVSPEQX-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-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

303.12192 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 172.2
[M+Na]+ 326.111138 180.4
[M-H]- 302.114644 169.9
[M+NH4]+ 321.155743 187.2
[M+K]+ 342.085078 173.9
[M+H-H2O]+ 286.119180 165.1
[M+HCOO]- 348.120121 178.7
[M+CH3COO]- 362.135771 180.2
[M+Na-2H]- 324.096586 173.2
[M]+ 303.12137142 165.8
[M]- 303.12246858 165.8
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.