CID 2529559

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

Structural Information

Molecular Formula
C23H24ClN3O
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C(=C3)NC(=O)CCl)C4=CC=CC=C4
InChI
InChI=1S/C23H24ClN3O/c24-16-23(28)25-22-15-21(26-27(22)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H,25,28)
InChIKey
RZPAZGDRGPDLCT-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(4-cyclohexylphenyl)-2-phenylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1608 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16808 196.8
[M+Na]+ 416.15002 211.4
[M+NH4]+ 411.19462 204.9
[M+K]+ 432.12396 203.4
[M-H]- 392.15352 204.5
[M+Na-2H]- 414.13547 206.9
[M]+ 393.16025 201.3
[M]- 393.16135 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.