CID 11577090

Orb1696375

Structural Information

Molecular Formula
C30H22O8
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)[C@H](C3=COC4=C(C3=O)C=CC(=C4)O)C(=O)C5=C(C=C(C=C5)O)O)O
InChI
InChI=1S/C30H22O8/c31-18-5-1-16(2-6-18)27(17-3-7-19(32)8-4-17)28(30(37)22-11-9-20(33)13-25(22)35)24-15-38-26-14-21(34)10-12-23(26)29(24)36/h1-15,27-28,31-35H/t28-/m0/s1
InChIKey
ZPIXFZZVVJUNDO-NDEPHWFRSA-N
Compound name
3-[(2R)-1-(2,4-dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.13147 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.13875 219.3
[M+Na]+ 533.12069 223.9
[M-H]- 509.12419 227.6
[M+NH4]+ 528.16529 220.3
[M+K]+ 549.09463 221.2
[M+H-H2O]+ 493.12873 208.0
[M+HCOO]- 555.12967 229.8
[M+CH3COO]- 569.14532 225.0
[M+Na-2H]- 531.10614 217.6
[M]+ 510.13092 219.6
[M]- 510.13202 219.6
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.