CID 14035924

Pumilaisoflavone a

Structural Information

Molecular Formula
C27H28O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=C(C(=C4)OC)OC(C)(C)C=C)OC)C
InChI
InChI=1S/C27H28O7/c1-8-26(2,3)34-25-20(30-6)11-15(12-21(25)31-7)17-14-32-19-13-18-16(9-10-27(4,5)33-18)23(28)22(19)24(17)29/h8-14,28H,1H2,2-7H3
InChIKey
KUMFNGIFCQBBKW-UHFFFAOYSA-N
Compound name
7-[3,5-dimethoxy-4-(2-methylbut-3-en-2-yloxy)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1835 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19078 213.3
[M+Na]+ 487.17272 223.4
[M-H]- 463.17622 222.7
[M+NH4]+ 482.21732 222.9
[M+K]+ 503.14666 222.7
[M+H-H2O]+ 447.18076 203.8
[M+HCOO]- 509.18170 227.1
[M+CH3COO]- 523.19735 238.6
[M+Na-2H]- 485.15817 217.8
[M]+ 464.18295 223.7
[M]- 464.18405 223.7
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.