CID 4583375

101937-73-9

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)Cl
InChI
InChI=1S/C14H16ClN3O2/c1-9(15)13(19)16-12-10(2)17(3)18(14(12)20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,19)
InChIKey
MORLKTUKTJISOL-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.100376 165.6
[M+Na]+ 316.082318 175.5
[M-H]- 292.085824 170.7
[M+NH4]+ 311.126923 181.2
[M+K]+ 332.056258 170.6
[M+H-H2O]+ 276.090360 157.9
[M+HCOO]- 338.091301 183.3
[M+CH3COO]- 352.106951 204.1
[M+Na-2H]- 314.067766 165.9
[M]+ 293.09255142 169.6
[M]- 293.09364858 169.6
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

No patent data available for this compound.