CID 71588362

10-(1,1-dimethylallyl)-5-methoxy-2,2-dimethyl-9a,10-dihydropyrano[3,2-g]chromen-8-one

Structural Information

Molecular Formula
C20H24O4
SMILES
CC1(C=CC2=C(O1)C(C3C(=C2OC)C=CC(=O)O3)C(C)(C)C=C)C
InChI
InChI=1S/C20H24O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11,15,17H,1H2,2-6H3
InChIKey
UQNRUUXBHDRMLJ-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-9a,10-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.16745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 176.5
[M+Na]+ 351.15667 185.4
[M-H]- 327.16017 183.2
[M+NH4]+ 346.20127 192.7
[M+K]+ 367.13061 184.2
[M+H-H2O]+ 311.16471 170.1
[M+HCOO]- 373.16565 190.2
[M+CH3COO]- 387.18130 213.7
[M+Na-2H]- 349.14212 182.8
[M]+ 328.16690 180.9
[M]- 328.16800 180.9
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.