CID 474378

Chembl313542

Structural Information

Molecular Formula
C34H26O4
SMILES
COC1=CC=CC2=C1C(=C(C=C2C3=CC=CC=C3)C4=C(C5=C(C=CC=C5OC)C(=C4)C6=CC=CC=C6)O)O
InChI
InChI=1S/C34H26O4/c1-37-29-17-9-15-23-25(21-11-5-3-6-12-21)19-27(33(35)31(23)29)28-20-26(22-13-7-4-8-14-22)24-16-10-18-30(38-2)32(24)34(28)36/h3-20,35-36H,1-2H3
InChIKey
LCKHZVYZCSQAPL-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-8-methoxy-4-phenylnaphthalen-2-yl)-8-methoxy-4-phenylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1831 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.19038 227.6
[M+Na]+ 521.17232 235.9
[M-H]- 497.17582 239.6
[M+NH4]+ 516.21692 234.0
[M+K]+ 537.14626 228.5
[M+H-H2O]+ 481.18036 213.9
[M+HCOO]- 543.18130 244.3
[M+CH3COO]- 557.19695 235.0
[M+Na-2H]- 519.15777 229.2
[M]+ 498.18255 230.5
[M]- 498.18365 230.5
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.