CID 116193

64036-60-8

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)C(=O)NC(=O)O3
InChI
InChI=1S/C17H13NO3/c19-15-17(21-16(20)18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,19,20)
InChIKey
SYARWWXCNNFEHU-UHFFFAOYSA-N
Compound name
spiro[1,3-oxazolidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.1
[M+Na]+ 302.07876 170.7
[M-H]- 278.08226 169.3
[M+NH4]+ 297.12336 179.8
[M+K]+ 318.05270 168.7
[M+H-H2O]+ 262.08680 156.0
[M+HCOO]- 324.08774 178.3
[M+CH3COO]- 338.10339 173.5
[M+Na-2H]- 300.06421 167.7
[M]+ 279.08899 157.7
[M]- 279.09009 157.7
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.