CID 85908

15793-73-4

Structural Information

Molecular Formula
C34H28Cl2N8O2
SMILES
CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)C)C)Cl)Cl
InChI
InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3
InChIKey
UIBAAMBCJDNDSQ-UHFFFAOYSA-N
Compound name
4-[[2-chloro-4-[3-chloro-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

45
Patents

650.1712 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.17848 258.6
[M+Na]+ 673.16042 276.5
[M+NH4]+ 668.20502 263.6
[M+K]+ 689.13436 268.7
[M-H]- 649.16392 271.0
[M+Na-2H]- 671.14587 269.9
[M]+ 650.17065 265.3
[M]- 650.17175 265.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe