CID 474384

Chembl327996

Structural Information

Molecular Formula
C34H28N2O4
SMILES
COC1=CC=CC2=C1C(=C(C=C2C3=CC(=CC=C3)N)C4=C(C5=C(C=CC=C5OC)C(=C4)C6=CC(=CC=C6)N)O)O
InChI
InChI=1S/C34H28N2O4/c1-39-29-13-5-11-23-25(19-7-3-9-21(35)15-19)17-27(33(37)31(23)29)28-18-26(20-8-4-10-22(36)16-20)24-12-6-14-30(40-2)32(24)34(28)38/h3-18,37-38H,35-36H2,1-2H3
InChIKey
KIAXFIRYRUTFQR-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)-2-[4-(3-aminophenyl)-1-hydroxy-8-methoxynaphthalen-2-yl]-8-methoxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2049 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.21218 234.7
[M+Na]+ 551.19412 242.9
[M-H]- 527.19762 246.3
[M+NH4]+ 546.23872 239.3
[M+K]+ 567.16806 236.0
[M+H-H2O]+ 511.20216 221.3
[M+HCOO]- 573.20310 252.1
[M+CH3COO]- 587.21875 241.2
[M+Na-2H]- 549.17957 234.9
[M]+ 528.20435 236.1
[M]- 528.20545 236.1
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.