CID 135568423

Brn 4776996

Structural Information

Molecular Formula
C39H28ClN7O3
SMILES
CC1=N/C(=C\C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)/C(=O)N1C5=CC=C(C=C5)C(=O)N/N=C(/C6=CC=CC=C6O)\N=NC7=CC=C(C=C7)Cl
InChI
InChI=1S/C39H28ClN7O3/c1-24-41-34(23-32-30-11-5-7-13-33(30)42-36(32)25-9-3-2-4-10-25)39(50)47(24)29-21-15-26(16-22-29)38(49)46-45-37(31-12-6-8-14-35(31)48)44-43-28-19-17-27(40)18-20-28/h2-23,42,48H,1H3,(H,46,49)/b34-23-,44-43?,45-37-
InChIKey
ADNTYPWRQGBYTC-RWDVOQFESA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-4-[(4Z)-2-methyl-5-oxo-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

677.1942 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.20148 256.7
[M+Na]+ 700.18342 261.5
[M-H]- 676.18692 274.1
[M+NH4]+ 695.22802 255.4
[M+K]+ 716.15736 252.9
[M+H-H2O]+ 660.19146 242.0
[M+HCOO]- 722.19240 273.7
[M+CH3COO]- 736.20805 261.2
[M+Na-2H]- 698.16887 254.7
[M]+ 677.19365 259.8
[M]- 677.19475 259.8
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.