CID 11111594

Ovaliflavanone a

Structural Information

Molecular Formula
C25H28O3
SMILES
CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC(CC2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C25H28O3/c1-16(2)10-12-19-14-21-22(26)15-23(18-8-6-5-7-9-18)28-25(21)20(24(19)27)13-11-17(3)4/h5-11,14,23,27H,12-13,15H2,1-4H3
InChIKey
QRCTUFJCBXMBPP-UHFFFAOYSA-N
Compound name
7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

376.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 194.5
[M+Na]+ 399.19308 200.0
[M-H]- 375.19658 200.6
[M+NH4]+ 394.23768 205.7
[M+K]+ 415.16702 194.9
[M+H-H2O]+ 359.20112 186.1
[M+HCOO]- 421.20206 208.5
[M+CH3COO]- 435.21771 221.3
[M+Na-2H]- 397.17853 192.2
[M]+ 376.20331 194.7
[M]- 376.20441 194.7
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