CID 3042082

Brn 0724499

Structural Information

Molecular Formula
C22H16Cl3N3O
SMILES
C1C(C(=NN1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H16Cl3N3O/c23-16-5-1-14(2-6-16)20-13-28(22(29)26-19-11-9-18(25)10-12-19)27-21(20)15-3-7-17(24)8-4-15/h1-12,20H,13H2,(H,26,29)
InChIKey
ZIDQXZZLCKJURB-UHFFFAOYSA-N
Compound name
N,4,5-tris(4-chlorophenyl)-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

443.0359 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.04318 202.8
[M+Na]+ 466.02512 211.9
[M-H]- 442.02862 210.7
[M+NH4]+ 461.06972 212.0
[M+K]+ 481.99906 202.9
[M+H-H2O]+ 426.03316 192.0
[M+HCOO]- 488.03410 208.5
[M+CH3COO]- 502.04975 210.8
[M+Na-2H]- 464.01057 200.6
[M]+ 443.03535 205.3
[M]- 443.03645 205.3
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