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-[1-phenyl-3-(4-propylphenyl)pyrazol-5-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]+ 354.136776 185.1
[M+Na]+ 376.118718 192.8
[M-H]- 352.122224 192.1
[M+NH4]+ 371.163323 197.4
[M+K]+ 392.092658 185.4
[M+H-H2O]+ 336.126760 174.9
[M+HCOO]- 398.127701 202.6
[M+CH3COO]- 412.143351 195.2
[M+Na-2H]- 374.104166 186.2
[M]+ 353.12895142 188.1
[M]- 353.13004858 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