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]+ 286.191376 170.3
[M+Na]+ 308.173318 177.4
[M-H]- 284.176824 174.5
[M+NH4]+ 303.217923 185.2
[M+K]+ 324.147258 173.1
[M+H-H2O]+ 268.181360 161.2
[M+HCOO]- 330.182301 192.3
[M+CH3COO]- 344.197951 205.9
[M+Na-2H]- 306.158766 171.3
[M]+ 285.18355142 172.7
[M]- 285.18464858 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.