CID 135568434

Brn 4778098

Structural Information

Molecular Formula
C44H30N8O5
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C\4/C(=O)N(C(=N4)C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)N/N=C(\C7=CC=CC=C7O)/N=NC8=CC(=CC=C8)[N+](=O)[O-]
InChI
InChI=1S/C44H30N8O5/c53-39-21-10-8-19-35(39)41(48-47-31-16-11-17-33(26-31)52(56)57)49-50-43(54)30-22-24-32(25-23-30)51-42(29-14-5-2-6-15-29)46-38(44(51)55)27-36-34-18-7-9-20-37(34)45-40(36)28-12-3-1-4-13-28/h1-27,45,53H,(H,50,54)/b38-27-,48-47?,49-41+
InChIKey
ZGSQUNBKALWIPR-FGCDUYMASA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-[(4Z)-5-oxo-2-phenyl-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

750.2339 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.24118 255.7
[M+Na]+ 773.22312 253.1
[M-H]- 749.22662 274.5
[M+NH4]+ 768.26772 247.7
[M+K]+ 789.19706 243.1
[M+H-H2O]+ 733.23116 243.1
[M+HCOO]- 795.23210 275.3
[M+CH3COO]- 809.24775 285.9
[M+Na-2H]- 771.20857 259.0
[M]+ 750.23335 252.0
[M]- 750.23445 252.0
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.