CID 5387492

Nsc624210

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1C(OC2=C(C1=O)C(=CC3=C2C(=CC(=O)O3)C4=CC=CC=C4)O)C
InChI
InChI=1S/C20H16O5/c1-10-11(2)24-20-17-13(12-6-4-3-5-7-12)8-16(22)25-15(17)9-14(21)18(20)19(10)23/h3-11,21H,1-2H3
InChIKey
DLUPGSAQAPMEDY-UHFFFAOYSA-N
Compound name
5-hydroxy-2,3-dimethyl-10-phenyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 176.5
[M+Na]+ 359.08898 187.4
[M-H]- 335.09248 186.2
[M+NH4]+ 354.13358 189.4
[M+K]+ 375.06292 185.0
[M+H-H2O]+ 319.09702 168.0
[M+HCOO]- 381.09796 193.0
[M+CH3COO]- 395.11361 188.5
[M+Na-2H]- 357.07443 181.5
[M]+ 336.09921 180.2
[M]- 336.10031 180.2
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.