CID 14035925

Pumilaisoflavone b

Structural Information

Molecular Formula
C27H28O7
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=C(C(=C4)OC)OC(C)(C)C=C)OC
InChI
InChI=1S/C27H28O7/c1-8-27(4,5)34-26-21(30-6)9-15(10-22(26)31-7)17-13-32-20-12-19-16(11-18(33-19)14(2)3)24(28)23(20)25(17)29/h8-10,12-13,18,28H,1-2,11H2,3-7H3
InChIKey
XUNJCHOQUWRGCB-UHFFFAOYSA-N
Compound name
6-[3,5-dimethoxy-4-(2-methylbut-3-en-2-yloxy)phenyl]-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1835 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19078 212.7
[M+Na]+ 487.17272 221.4
[M-H]- 463.17622 222.0
[M+NH4]+ 482.21732 222.0
[M+K]+ 503.14666 219.9
[M+H-H2O]+ 447.18076 205.6
[M+HCOO]- 509.18170 226.6
[M+CH3COO]- 523.19735 239.0
[M+Na-2H]- 485.15817 212.4
[M]+ 464.18295 222.3
[M]- 464.18405 222.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.