CID 2998139

6'-methoxy-3',4'-dihydro-2'h-spiro[imidazolidine-4,1'-naphthalene]-2,5-dione

Structural Information

Molecular Formula
C13H14N2O3
SMILES
COC1=CC2=C(C=C1)C3(CCC2)C(=O)NC(=O)N3
InChI
InChI=1S/C13H14N2O3/c1-18-9-4-5-10-8(7-9)3-2-6-13(10)11(16)14-12(17)15-13/h4-5,7H,2-3,6H2,1H3,(H2,14,15,16,17)
InChIKey
ZMFQWIPCIBDUFU-UHFFFAOYSA-N
Compound name
7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

246.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 155.2
[M+Na]+ 269.089668 163.5
[M-H]- 245.093174 156.5
[M+NH4]+ 264.134273 173.7
[M+K]+ 285.063608 158.4
[M+H-H2O]+ 229.097710 148.3
[M+HCOO]- 291.098651 170.0
[M+CH3COO]- 305.114301 166.0
[M+Na-2H]- 267.075116 158.9
[M]+ 246.09990142 150.4
[M]- 246.10099858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe