CID 135848165

3h-pyrazol-3-one, 5-((4-aminophenyl)amino)-2,4-dihydro-2-(2,4,6-trichlorophenyl)-

Structural Information

Molecular Formula
C15H11Cl3N4O
SMILES
C1C(=NC2=CC=C(C=C2)N)NN(C1=O)C3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N4O/c16-8-5-11(17)15(12(18)6-8)22-14(23)7-13(21-22)20-10-3-1-9(19)2-4-10/h1-6H,7,19H2,(H,20,21)
InChIKey
GETZSZYSBMWLSO-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.99985 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00713 185.1
[M+Na]+ 390.98907 195.4
[M-H]- 366.99257 190.2
[M+NH4]+ 386.03367 197.3
[M+K]+ 406.96301 186.8
[M+H-H2O]+ 350.99711 176.8
[M+HCOO]- 412.99805 192.0
[M+CH3COO]- 427.01370 194.2
[M+Na-2H]- 388.97452 183.1
[M]+ 367.99930 184.5
[M]- 368.00040 184.5
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

patents stripe