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]+ 302.18630 173.1
[M+Na]+ 324.16824 179.0
[M-H]- 300.17174 178.6
[M+NH4]+ 319.21284 187.6
[M+K]+ 340.14218 177.2
[M+H-H2O]+ 284.17628 163.7
[M+HCOO]- 346.17722 194.9
[M+CH3COO]- 360.19287 211.0
[M+Na-2H]- 322.15369 173.1
[M]+ 301.17847 177.3
[M]- 301.17957 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.