CID 474379

Chembl94223

Structural Information

Molecular Formula
C36H30O4
SMILES
CC1=CC2=C(C(=C1)OC)C(=C(C=C2C3=CC=CC=C3)C4=C(C5=C(C=C(C=C5OC)C)C(=C4)C6=CC=CC=C6)O)O
InChI
InChI=1S/C36H30O4/c1-21-15-27-25(23-11-7-5-8-12-23)19-29(35(37)33(27)31(17-21)39-3)30-20-26(24-13-9-6-10-14-24)28-16-22(2)18-32(40-4)34(28)36(30)38/h5-20,37-38H,1-4H3
InChIKey
CXUJHLYKCHYUHR-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-8-methoxy-6-methyl-4-phenylnaphthalen-2-yl)-8-methoxy-6-methyl-4-phenylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2144 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.22168 238.1
[M+Na]+ 549.20362 247.0
[M-H]- 525.20712 250.4
[M+NH4]+ 544.24822 243.8
[M+K]+ 565.17756 239.7
[M+H-H2O]+ 509.21166 224.0
[M+HCOO]- 571.21260 253.9
[M+CH3COO]- 585.22825 245.1
[M+Na-2H]- 547.18907 237.1
[M]+ 526.21385 242.4
[M]- 526.21495 242.4
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.