CID 3042084

Brn 0728196

Structural Information

Molecular Formula
C23H17ClF3N3O
SMILES
C1C(C(=NN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClF3N3O/c24-18-11-9-16(10-12-18)21-20(15-5-2-1-3-6-15)14-30(29-21)22(31)28-19-8-4-7-17(13-19)23(25,26)27/h1-13,20H,14H2,(H,28,31)
InChIKey
XUEHOZQHTTYGAC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4-phenyl-N-[3-(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 202.9
[M+Na]+ 466.09045 211.1
[M-H]- 442.09395 209.3
[M+NH4]+ 461.13505 211.2
[M+K]+ 482.06439 202.0
[M+H-H2O]+ 426.09849 189.2
[M+HCOO]- 488.09943 214.3
[M+CH3COO]- 502.11508 210.7
[M+Na-2H]- 464.07590 202.2
[M]+ 443.10068 200.0
[M]- 443.10178 200.0
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