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]+ 329.174726 176.5
[M+Na]+ 351.156668 185.4
[M-H]- 327.160174 183.2
[M+NH4]+ 346.201273 192.7
[M+K]+ 367.130608 184.2
[M+H-H2O]+ 311.164710 170.1
[M+HCOO]- 373.165651 190.2
[M+CH3COO]- 387.181301 213.7
[M+Na-2H]- 349.142116 182.8
[M]+ 328.16690142 180.9
[M]- 328.16799858 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.