CID 2517662

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

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O/c1-2-14-8-10-15(11-9-14)17-12-18(21-19(24)13-20)23(22-17)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,21,24)
InChIKey
DFVHSWOPUFDOET-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(4-ethylphenyl)-2-phenylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 180.9
[M+Na]+ 362.10305 196.2
[M+NH4]+ 357.14765 188.7
[M+K]+ 378.07699 188.9
[M-H]- 338.10655 186.5
[M+Na-2H]- 360.08850 190.6
[M]+ 339.11328 185.0
[M]- 339.11438 185.0
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.

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No patent data available for this compound.