CID 10340350

2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
InChI
InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3
InChIKey
NEIURIYDQMKXIG-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

24
Patents

390.1831 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.6
[M+Na]+ 413.17232 204.3
[M-H]- 389.17582 204.8
[M+NH4]+ 408.21692 208.9
[M+K]+ 429.14626 201.1
[M+H-H2O]+ 373.18036 187.6
[M+HCOO]- 435.18130 208.7
[M+CH3COO]- 449.19695 205.9
[M+Na-2H]- 411.15777 198.4
[M]+ 390.18255 198.1
[M]- 390.18365 198.1
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

patents stripe