CID 14604074

3-(1,1-dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin

Structural Information

Molecular Formula
C24H28O3
SMILES
CC(=CCC1=C2C(=CC3=C1OC(C=C3)(C)C)C=C(C(=O)O2)C(C)(C)C=C)C
InChI
InChI=1S/C24H28O3/c1-8-23(4,5)19-14-17-13-16-11-12-24(6,7)27-21(16)18(10-9-15(2)3)20(17)26-22(19)25/h8-9,11-14H,1,10H2,2-7H3
InChIKey
PIOKBHKPGZHPHS-UHFFFAOYSA-N
Compound name
2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.20386 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.211136 188.9
[M+Na]+ 387.193078 198.2
[M-H]- 363.196584 195.8
[M+NH4]+ 382.237683 203.7
[M+K]+ 403.167018 195.2
[M+H-H2O]+ 347.201120 182.0
[M+HCOO]- 409.202061 203.1
[M+CH3COO]- 423.217711 222.2
[M+Na-2H]- 385.178526 193.4
[M]+ 364.20331142 194.6
[M]- 364.20440858 194.6
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.