CID 173664

Brn 0768174

Structural Information

Molecular Formula
C22H17Cl2N3O
SMILES
C1C(C(=NN1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H17Cl2N3O/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-27(26-21)22(28)25-19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H,25,28)
InChIKey
PJOQTCYFCXSJOD-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

409.07486 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08214 197.3
[M+Na]+ 432.06408 214.8
[M+NH4]+ 427.10868 205.7
[M+K]+ 448.03802 205.8
[M-H]- 408.06758 205.2
[M+Na-2H]- 430.04953 208.7
[M]+ 409.07431 202.8
[M]- 409.07541 202.8
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