CID 3042085

Brn 0726928

Structural Information

Molecular Formula
C23H17ClF3N3O
SMILES
C1C(C(=NN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClF3N3O/c24-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-30(29-21)22(31)28-19-12-8-17(9-13-19)23(25,26)27/h1-13,20H,14H2,(H,28,31)
InChIKey
KNIUCGCTDBVDLG-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

443.10123 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.10851 201.9
[M+Na]+ 466.09045 213.8
[M+NH4]+ 461.13505 206.8
[M+K]+ 482.06439 207.7
[M-H]- 442.09395 204.1
[M+Na-2H]- 464.07590 209.9
[M]+ 443.10068 204.3
[M]- 443.10178 204.3
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