CID 3043221

55266-64-3

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(C)CCOC1=CC(=NN1C2=CC=CC=C2)C(=O)N(C)C
InChI
InChI=1S/C17H23N3O2/c1-13(2)10-11-22-16-12-15(17(21)19(3)4)18-20(16)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKey
QOAPYJRTFODGNI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-(3-methylbutoxy)-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 173.1
[M+Na]+ 324.168238 179.0
[M-H]- 300.171744 178.6
[M+NH4]+ 319.212843 187.6
[M+K]+ 340.142178 177.2
[M+H-H2O]+ 284.176280 163.7
[M+HCOO]- 346.177221 194.9
[M+CH3COO]- 360.192871 211.0
[M+Na-2H]- 322.153686 173.1
[M]+ 301.17847142 177.3
[M]- 301.17956858 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.