CID 44257643

5-methoxy-2,2-dimethyl-8-phenyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18-19(20(14)23-3)15(22)11-16(24-18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
QIWUOCVLZSWRLE-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethyl-8-phenylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 177.9
[M+Na]+ 357.109718 189.1
[M-H]- 333.113224 188.7
[M+NH4]+ 352.154323 193.3
[M+K]+ 373.083658 187.1
[M+H-H2O]+ 317.117760 168.7
[M+HCOO]- 379.118701 196.7
[M+CH3COO]- 393.134351 190.5
[M+Na-2H]- 355.095166 185.8
[M]+ 334.11995142 183.7
[M]- 334.12104858 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.