CID 360427

Nsc622563

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CCCN(CCC)C(=O)C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)N
InChI
InChI=1S/C17H22N4O3/c1-3-10-20(11-4-2)17(24)14(22)13-15(18)19-21(16(13)23)12-8-6-5-7-9-12/h5-9,19H,3-4,10-11,18H2,1-2H3
InChIKey
TUSNNKPLPFHYMI-UHFFFAOYSA-N
Compound name
2-(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-oxo-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1692 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17648 178.6
[M+Na]+ 353.15842 184.4
[M-H]- 329.16192 182.7
[M+NH4]+ 348.20302 190.6
[M+K]+ 369.13236 181.0
[M+H-H2O]+ 313.16646 169.3
[M+HCOO]- 375.16740 199.8
[M+CH3COO]- 389.18305 215.1
[M+Na-2H]- 351.14387 177.1
[M]+ 330.16865 179.5
[M]- 330.16975 179.5
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.