CID 42608135

Gericudranins b

Structural Information

Molecular Formula
C22H18O8
SMILES
C1=CC(=CC=C1CC2=C3C(=C(C=C2O)O)C(=O)C(C(O3)C4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C22H18O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,20-21,23-27,29H,7H2
InChIKey
UMBDLCOFFATLCV-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

410.10016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10744 194.8
[M+Na]+ 433.08938 202.6
[M-H]- 409.09288 199.7
[M+NH4]+ 428.13398 201.1
[M+K]+ 449.06332 199.0
[M+H-H2O]+ 393.09742 186.1
[M+HCOO]- 455.09836 205.6
[M+CH3COO]- 469.11401 217.4
[M+Na-2H]- 431.07483 194.6
[M]+ 410.09961 194.5
[M]- 410.10071 194.5
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