CID 3067303

2-acetamido-n-antipyrinylbutyramide

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)NC(=O)C
InChI
InChI=1S/C17H22N4O3/c1-5-14(18-12(3)22)16(23)19-15-11(2)20(4)21(17(15)24)13-9-7-6-8-10-13/h6-10,14H,5H2,1-4H3,(H,18,22)(H,19,23)
InChIKey
KNRQVMOOQOIWGX-UHFFFAOYSA-N
Compound name
2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1692 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17648 178.5
[M+Na]+ 353.15842 185.3
[M-H]- 329.16192 183.6
[M+NH4]+ 348.20302 191.2
[M+K]+ 369.13236 182.3
[M+H-H2O]+ 313.16646 169.6
[M+HCOO]- 375.16740 200.3
[M+CH3COO]- 389.18305 216.3
[M+Na-2H]- 351.14387 177.4
[M]+ 330.16865 180.8
[M]- 330.16975 180.8
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.