CID 3079325

125103-56-2

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCCCNC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C
InChI
InChI=1S/C17H23N3O/c1-4-5-11-18-17(21)12-16-13(2)19-20(14(16)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChIKey
TYEQOPUQTBJCKA-UHFFFAOYSA-N
Compound name
N-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 170.8
[M+Na]+ 308.17332 182.7
[M+NH4]+ 303.21792 177.5
[M+K]+ 324.14726 177.4
[M-H]- 284.17682 173.6
[M+Na-2H]- 306.15877 177.0
[M]+ 285.18355 173.1
[M]- 285.18465 173.1
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.