CID 156793

Barbigerone

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC(=C(C=C4OC)OC)OC)C
InChI
InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3
InChIKey
OBIUGMGQVQMVSK-UHFFFAOYSA-N
Compound name
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

302
Patents

394.14163 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 193.3
[M+Na]+ 417.13085 204.7
[M-H]- 393.13435 204.3
[M+NH4]+ 412.17545 206.4
[M+K]+ 433.10479 204.2
[M+H-H2O]+ 377.13889 183.5
[M+HCOO]- 439.13983 211.5
[M+CH3COO]- 453.15548 225.4
[M+Na-2H]- 415.11630 199.2
[M]+ 394.14108 203.4
[M]- 394.14218 203.4
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