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 170.3
[M+Na]+ 308.17332 177.4
[M-H]- 284.17682 174.5
[M+NH4]+ 303.21792 185.2
[M+K]+ 324.14726 173.1
[M+H-H2O]+ 268.18136 161.2
[M+HCOO]- 330.18230 192.3
[M+CH3COO]- 344.19795 205.9
[M+Na-2H]- 306.15877 171.3
[M]+ 285.18355 172.7
[M]- 285.18465 172.7
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.