CID 365123

Nsc632223

Structural Information

Molecular Formula
C21H18O8
SMILES
C1=CC(=C(C=C1C2C(C(C3=C(O2)C=C(C=C3)O)C4=C(C=C(C=C4O)O)O)O)O)O
InChI
InChI=1S/C21H18O8/c22-10-2-3-12-17(8-10)29-21(9-1-4-13(24)14(25)5-9)20(28)18(12)19-15(26)6-11(23)7-16(19)27/h1-8,18,20-28H
InChIKey
QFRLUBGNRQIORT-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]benzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.10016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10744 191.7
[M+Na]+ 421.08938 199.2
[M-H]- 397.09288 195.4
[M+NH4]+ 416.13398 197.9
[M+K]+ 437.06332 195.7
[M+H-H2O]+ 381.09742 183.4
[M+HCOO]- 443.09836 201.2
[M+CH3COO]- 457.11401 213.3
[M+Na-2H]- 419.07483 191.6
[M]+ 398.09961 190.2
[M]- 398.10071 190.2
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.