CID 203248

Propionamide, n-antipyrinyl-

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C14H17N3O2/c1-4-12(18)15-13-10(2)16(3)17(14(13)19)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,18)
InChIKey
MTAMBPMMQPPYRK-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

259.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 158.8
[M+Na]+ 282.121298 168.4
[M-H]- 258.124804 164.0
[M+NH4]+ 277.165903 175.0
[M+K]+ 298.095238 164.7
[M+H-H2O]+ 242.129340 150.6
[M+HCOO]- 304.130281 182.2
[M+CH3COO]- 318.145931 199.6
[M+Na-2H]- 280.106746 160.7
[M]+ 259.13153142 161.3
[M]- 259.13262858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.