CID 398202

Brn 0674907

Structural Information

Molecular Formula
C17H12N2O2
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C24C(=O)NC(=O)N4
InChI
InChI=1S/C17H12N2O2/c20-15-17(19-16(21)18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,18,19,20,21)
InChIKey
KQWVJJYTFRIQCS-UHFFFAOYSA-N
Compound name
spiro[imidazolidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 164.7
[M+Na]+ 299.07909 174.1
[M-H]- 275.08259 169.2
[M+NH4]+ 294.12369 182.0
[M+K]+ 315.05303 169.7
[M+H-H2O]+ 259.08713 157.4
[M+HCOO]- 321.08807 180.4
[M+CH3COO]- 335.10372 175.3
[M+Na-2H]- 297.06454 170.1
[M]+ 276.08932 158.7
[M]- 276.09042 158.7
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.