CID 373050

Nsc648883

Structural Information

Molecular Formula
C18H10O4
SMILES
C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C4C(=O)C=COC4=C3
InChI
InChI=1S/C18H10O4/c19-15-6-7-21-16-10-17-13(8-14(15)16)12(9-18(20)22-17)11-4-2-1-3-5-11/h1-10H
InChIKey
SOXMYYBQFNEUOF-UHFFFAOYSA-N
Compound name
4-phenylpyrano[3,2-g]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05792 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06520 161.4
[M+Na]+ 313.04714 174.3
[M-H]- 289.05064 172.9
[M+NH4]+ 308.09174 176.5
[M+K]+ 329.02108 171.7
[M+H-H2O]+ 273.05518 152.8
[M+HCOO]- 335.05612 184.4
[M+CH3COO]- 349.07177 175.7
[M+Na-2H]- 311.03259 172.6
[M]+ 290.05737 167.6
[M]- 290.05847 167.6
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.