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]+ 304.12920 172.2
[M+Na]+ 326.11114 180.4
[M-H]- 302.11464 169.9
[M+NH4]+ 321.15574 187.2
[M+K]+ 342.08508 173.9
[M+H-H2O]+ 286.11918 165.1
[M+HCOO]- 348.12012 178.7
[M+CH3COO]- 362.13577 180.2
[M+Na-2H]- 324.09659 173.2
[M]+ 303.12137 165.8
[M]- 303.12247 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.