CID 82374

Einecs 233-354-1

Structural Information

Molecular Formula
C48H36N6O6
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5)O)OC)N=NC6=C(C(=CC7=CC=CC=C76)C(=O)NC8=CC=CC=C8)O
InChI
InChI=1S/C48H36N6O6/c1-59-41-27-29(21-23-39(41)51-53-43-35-19-11-9-13-31(35)25-37(45(43)55)47(57)49-33-15-5-3-6-16-33)30-22-24-40(42(28-30)60-2)52-54-44-36-20-12-10-14-32(36)26-38(46(44)56)48(58)50-34-17-7-4-8-18-34/h3-28,55-56H,1-2H3,(H,49,57)(H,50,58)
InChIKey
FUWKVWMULKARSR-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[4-[4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

792.26965 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.27693 276.9
[M+Na]+ 815.25887 277.0
[M-H]- 791.26237 295.5
[M+NH4]+ 810.30347 269.8
[M+K]+ 831.23281 275.8
[M+H-H2O]+ 775.26691 257.3
[M+HCOO]- 837.26785 298.7
[M+CH3COO]- 851.28350 278.6
[M+Na-2H]- 813.24432 281.5
[M]+ 792.26910 280.1
[M]- 792.27020 280.1
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

patents stripe