CID 54690699

27305-41-5

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(CCC2=CC3=C(C=C2O1)OC(=O)C(=C3O)C4=CC=CC=C4)C
InChI
InChI=1S/C20H18O4/c1-20(2)9-8-13-10-14-16(11-15(13)24-20)23-19(22)17(18(14)21)12-6-4-3-5-7-12/h3-7,10-11,21H,8-9H2,1-2H3
InChIKey
KEEUVUWDHBCBMX-UHFFFAOYSA-N
Compound name
6-hydroxy-2,2-dimethyl-7-phenyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.2
[M+Na]+ 345.10972 184.4
[M-H]- 321.11322 183.5
[M+NH4]+ 340.15432 189.4
[M+K]+ 361.08366 181.9
[M+H-H2O]+ 305.11776 165.6
[M+HCOO]- 367.11870 190.5
[M+CH3COO]- 381.13435 186.1
[M+Na-2H]- 343.09517 181.4
[M]+ 322.11995 176.6
[M]- 322.12105 176.6
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.