CID 10958572

Isopongaflavone

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
DPAGRPSAFDXQDN-UHFFFAOYSA-N
Compound name
5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

454
Patents

334.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 177.9
[M+Na]+ 357.10972 189.1
[M-H]- 333.11322 188.7
[M+NH4]+ 352.15432 193.3
[M+K]+ 373.08366 187.1
[M+H-H2O]+ 317.11776 168.7
[M+HCOO]- 379.11870 196.7
[M+CH3COO]- 393.13435 190.5
[M+Na-2H]- 355.09517 185.8
[M]+ 334.11995 183.7
[M]- 334.12105 183.7
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