CID 2369606

2-chloro-n-(1,3-diphenyl-1h-pyrazol-5-yl)acetamide

Structural Information

Molecular Formula
C17H14ClN3O
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)
InChIKey
GJSOCNYKVHSXCX-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,5-diphenylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

311.08255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08983 171.7
[M+Na]+ 334.07177 187.0
[M+NH4]+ 329.11637 179.8
[M+K]+ 350.04571 180.0
[M-H]- 310.07527 177.3
[M+Na-2H]- 332.05722 182.3
[M]+ 311.08200 175.8
[M]- 311.08310 175.8
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

No patent data available for this compound.