CID 3043193

55228-56-3

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC(C)OC1=CC(=NN1C2=CC=CC=C2)C(=O)N(C)C
InChI
InChI=1S/C15H19N3O2/c1-11(2)20-14-10-13(15(19)17(3)4)16-18(14)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
KGVBXHRRCXQRDE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenyl-5-propan-2-yloxypyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.9
[M+Na]+ 296.13696 170.7
[M-H]- 272.14046 169.7
[M+NH4]+ 291.18156 179.5
[M+K]+ 312.11090 169.3
[M+H-H2O]+ 256.14500 154.8
[M+HCOO]- 318.14594 186.3
[M+CH3COO]- 332.16159 205.1
[M+Na-2H]- 294.12241 164.9
[M]+ 273.14719 167.3
[M]- 273.14829 167.3
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.