CID 3078899

Brn 3622811

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
CCC1=NN(C(C1)(C)CC)C(=O)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H20ClN3O2/c1-4-13-10-16(3,5-2)20(19-13)15(22)18-14(21)11-6-8-12(17)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,18,21,22)
InChIKey
UCCQIFJEEGFSCK-UHFFFAOYSA-N
Compound name
N-(4-chlorobenzoyl)-3,5-diethyl-5-methyl-4H-pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13168 173.9
[M+Na]+ 344.11362 185.2
[M+NH4]+ 339.15822 181.4
[M+K]+ 360.08756 179.1
[M-H]- 320.11712 175.5
[M+Na-2H]- 342.09907 180.3
[M]+ 321.12385 176.1
[M]- 321.12495 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.