CID 3995668

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-n-propyl-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20ClN3O2/c1-3-12-22-20(25)19-13-18(14-4-10-17(26-2)11-5-14)23-24(19)16-8-6-15(21)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,22,25)
InChIKey
OPDQUZDPSOONNW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-propylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.1244 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 188.1
[M+Na]+ 392.11362 196.6
[M-H]- 368.11712 195.6
[M+NH4]+ 387.15822 200.0
[M+K]+ 408.08756 189.9
[M+H-H2O]+ 352.12166 178.0
[M+HCOO]- 414.12260 205.8
[M+CH3COO]- 428.13825 217.6
[M+Na-2H]- 390.09907 188.6
[M]+ 369.12385 192.9
[M]- 369.12495 192.9
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