CID 354119

Calopogoniumisoflavone a

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C21H18O4/c1-21(2)11-10-15-18(25-21)9-8-16-19(22)17(12-24-20(15)16)13-4-6-14(23-3)7-5-13/h4-12H,1-3H3
InChIKey
QLPJSBWLIFSIMS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.