CID 24844190

Pyrazole, 1-acetyl-3-(n-ethylacetamido)-4-phenyl-

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CCN(C1=NN(C=C1C2=CC=CC=C2)C(=O)C)C(=O)C
InChI
InChI=1S/C15H17N3O2/c1-4-17(11(2)19)15-14(10-18(16-15)12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKey
ZCHVVNQEAZILEJ-UHFFFAOYSA-N
Compound name
N-(1-acetyl-4-phenylpyrazol-3-yl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 163.0
[M+Na]+ 294.121298 170.2
[M-H]- 270.124804 169.0
[M+NH4]+ 289.165903 178.7
[M+K]+ 310.095238 168.3
[M+H-H2O]+ 254.129340 154.1
[M+HCOO]- 316.130281 185.7
[M+CH3COO]- 330.145931 203.6
[M+Na-2H]- 292.106746 164.1
[M]+ 271.13153142 165.7
[M]- 271.13262858 165.7
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.