CID 135568429

Brn 4777618

Structural Information

Molecular Formula
C44H30ClN7O3
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=C(C=C8)Cl
InChI
InChI=1S/C44H30ClN7O3/c45-31-21-23-32(24-22-31)48-49-41(35-16-8-10-18-39(35)53)50-51-43(54)30-19-25-33(26-20-30)52-42(29-13-5-2-6-14-29)47-38(44(52)55)27-36-34-15-7-9-17-37(34)46-40(36)28-11-3-1-4-12-28/h1-27,46,53H,(H,51,54)/b38-27-,49-48?,50-41-
InChIKey
JGGHFRCMJGSERS-IWFMLGACSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(2-hydroxyphenyl)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

739.20984 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 740.21712 263.5
[M+Na]+ 762.19906 266.7
[M-H]- 738.20256 282.5
[M+NH4]+ 757.24366 258.9
[M+K]+ 778.17300 258.0
[M+H-H2O]+ 722.20710 247.5
[M+HCOO]- 784.20804 279.2
[M+CH3COO]- 798.22369 266.6
[M+Na-2H]- 760.18451 261.7
[M]+ 739.20929 265.2
[M]- 739.21039 265.2
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.