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]+ 365.21114 188.9
[M+Na]+ 387.19308 198.2
[M-H]- 363.19658 195.8
[M+NH4]+ 382.23768 203.7
[M+K]+ 403.16702 195.2
[M+H-H2O]+ 347.20112 182.0
[M+HCOO]- 409.20206 203.1
[M+CH3COO]- 423.21771 222.2
[M+Na-2H]- 385.17853 193.4
[M]+ 364.20331 194.6
[M]- 364.20441 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.