CID 474386

Chembl328887

Structural Information

Molecular Formula
C36H32N2O6
SMILES
COC1=CC2=C(C(=C1)OC)C(=C(C=C2C3=CC(=CC=C3)N)C4=C(C5=C(C=C(C=C5OC)OC)C(=C4)C6=CC(=CC=C6)N)O)O
InChI
InChI=1S/C36H32N2O6/c1-41-23-13-27-25(19-7-5-9-21(37)11-19)17-29(35(39)33(27)31(15-23)43-3)30-18-26(20-8-6-10-22(38)12-20)28-14-24(42-2)16-32(44-4)34(28)36(30)40/h5-18,39-40H,37-38H2,1-4H3
InChIKey
FMTXMDVTORJSSO-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)-2-[4-(3-aminophenyl)-1-hydroxy-6,8-dimethoxynaphthalen-2-yl]-6,8-dimethoxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.226 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.23328 251.3
[M+Na]+ 611.21522 259.0
[M-H]- 587.21872 263.1
[M+NH4]+ 606.25982 253.5
[M+K]+ 627.18916 254.6
[M+H-H2O]+ 571.22326 236.9
[M+HCOO]- 633.22420 267.7
[M+CH3COO]- 647.23985 256.8
[M+Na-2H]- 609.20067 249.3
[M]+ 588.22545 256.6
[M]- 588.22655 256.6
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.