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 172.5
[M+Na]+ 324.16824 183.4
[M+NH4]+ 319.21284 178.7
[M+K]+ 340.14218 179.8
[M-H]- 300.17174 174.9
[M+Na-2H]- 322.15369 178.5
[M]+ 301.17847 174.5
[M]- 301.17957 174.5
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.