CID 15082186

Barpisoflavone c

Structural Information

Molecular Formula
C21H18O6
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C21H18O6/c1-21(2)7-6-13-16(27-21)9-17(25-3)18-19(24)14(10-26-20(13)18)12-5-4-11(22)8-15(12)23/h4-10,22-23H,1-3H3
InChIKey
MBCXSBCMGKGGJW-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 184.9
[M+Na]+ 389.09957 196.4
[M-H]- 365.10307 193.7
[M+NH4]+ 384.14417 197.9
[M+K]+ 405.07351 194.7
[M+H-H2O]+ 349.10761 176.2
[M+HCOO]- 411.10855 200.8
[M+CH3COO]- 425.12420 196.4
[M+Na-2H]- 387.08502 191.1
[M]+ 366.10980 191.2
[M]- 366.11090 191.2
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.