CID 166353

Einecs 277-019-8

Structural Information

Molecular Formula
C43H36N4O4
SMILES
CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC5=CC=CC=C54)O)OCC)N=NC6=C(C=CC7=CC=CC=C76)O
InChI
InChI=1S/C43H36N4O4/c1-3-50-39-26-31(18-22-35(39)44-46-42-33-16-10-8-12-28(33)20-24-37(42)48)41(30-14-6-5-7-15-30)32-19-23-36(40(27-32)51-4-2)45-47-43-34-17-11-9-13-29(34)21-25-38(43)49/h5-27,41,48-49H,3-4H2,1-2H3
InChIKey
UREMJLRMOYIAQO-UHFFFAOYSA-N
Compound name
1-[[2-ethoxy-4-[[3-ethoxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

672.2737 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.28098 264.6
[M+Na]+ 695.26292 267.4
[M-H]- 671.26642 281.5
[M+NH4]+ 690.30752 263.6
[M+K]+ 711.23686 262.3
[M+H-H2O]+ 655.27096 246.2
[M+HCOO]- 717.27190 286.9
[M+CH3COO]- 731.28755 268.5
[M+Na-2H]- 693.24837 267.9
[M]+ 672.27315 268.9
[M]- 672.27425 268.9
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.