CID 2384297

2-chloro-n-[1-phenyl-3-(4-propylphenyl)-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CCCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C20H20ClN3O/c1-2-6-15-9-11-16(12-10-15)18-13-19(22-20(25)14-21)24(23-18)17-7-4-3-5-8-17/h3-5,7-13H,2,6,14H2,1H3,(H,22,25)
InChIKey
QISZVXWVXQJFRJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.1295 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 185.1
[M+Na]+ 376.11872 192.8
[M-H]- 352.12222 192.1
[M+NH4]+ 371.16332 197.4
[M+K]+ 392.09266 185.4
[M+H-H2O]+ 336.12676 174.9
[M+HCOO]- 398.12770 202.6
[M+CH3COO]- 412.14335 195.2
[M+Na-2H]- 374.10417 186.2
[M]+ 353.12895 188.1
[M]- 353.13005 188.1
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