CID 47002122

2-chloro-n-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)propanamide

Structural Information

Molecular Formula
C14H16ClN3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C(C)Cl
InChI
InChI=1S/C14H16ClN3O/c1-9(15)14(19)16-13-10(2)17-18(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,19)
InChIKey
JITVRYVZPHFBDV-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09818 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10546 163.1
[M+Na]+ 300.08740 176.1
[M+NH4]+ 295.13200 170.4
[M+K]+ 316.06134 171.3
[M-H]- 276.09090 165.8
[M+Na-2H]- 298.07285 169.8
[M]+ 277.09763 165.8
[M]- 277.09873 165.8
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.