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]+ 294.10038 165.6
[M+Na]+ 316.08232 175.5
[M-H]- 292.08582 170.7
[M+NH4]+ 311.12692 181.2
[M+K]+ 332.05626 170.6
[M+H-H2O]+ 276.09036 157.9
[M+HCOO]- 338.09130 183.3
[M+CH3COO]- 352.10695 204.1
[M+Na-2H]- 314.06777 165.9
[M]+ 293.09255 169.6
[M]- 293.09365 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.