CID 3043193

N,n-dimethyl-5-isopropoxy-1-phenyl-1h-pyrazole-3-carboxamide

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]+ 274.155016 163.9
[M+Na]+ 296.136958 170.7
[M-H]- 272.140464 169.7
[M+NH4]+ 291.181563 179.5
[M+K]+ 312.110898 169.3
[M+H-H2O]+ 256.145000 154.8
[M+HCOO]- 318.145941 186.3
[M+CH3COO]- 332.161591 205.1
[M+Na-2H]- 294.122406 164.9
[M]+ 273.14719142 167.3
[M]- 273.14828858 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.