CID 361267

8,8-dimethyl-4-phenyl-7,8-dihydro-2h,6h-pyrano[3,2-g]chromen-2-one

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1(CCC2=CC3=C(C=C2O1)OC(=O)C=C3C4=CC=CC=C4)C
InChI
InChI=1S/C20H18O3/c1-20(2)9-8-14-10-16-15(13-6-4-3-5-7-13)11-19(21)22-18(16)12-17(14)23-20/h3-7,10-12H,8-9H2,1-2H3
InChIKey
NRLFLYIHMXGJML-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-phenyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 170.6
[M+Na]+ 329.11480 180.5
[M-H]- 305.11830 180.8
[M+NH4]+ 324.15940 186.9
[M+K]+ 345.08874 178.0
[M+H-H2O]+ 289.12284 161.6
[M+HCOO]- 351.12378 188.3
[M+CH3COO]- 365.13943 182.9
[M+Na-2H]- 327.10025 178.6
[M]+ 306.12503 172.8
[M]- 306.12613 172.8
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.