CID 5465661

Nsc658583

Structural Information

Molecular Formula
C31H22O10
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O
InChI
InChI=1S/C31H22O10/c1-39-22-10-7-15(11-20(22)34)30-28(38)26(36)19-4-2-3-18(31(19)41-30)24-27(37)25-21(35)12-17(33)13-23(25)40-29(24)14-5-8-16(32)9-6-14/h2-13,28,30,32-35,38H,1H3
InChIKey
LIXLQHZDLFCVIN-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.1213 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.12858 233.8
[M+Na]+ 577.11052 241.6
[M-H]- 553.11402 244.6
[M+NH4]+ 572.15512 233.5
[M+K]+ 593.08446 241.0
[M+H-H2O]+ 537.11856 220.8
[M+HCOO]- 599.11950 242.2
[M+CH3COO]- 613.13515 239.7
[M+Na-2H]- 575.09597 232.9
[M]+ 554.12075 237.7
[M]- 554.12185 237.7
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.