CID 23359470

4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CCC1=NN(C(=C1Cl)C(=O)N)C
InChI
InChI=1S/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKey
MIDWNRQXTXNCAL-UHFFFAOYSA-N
Compound name
4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21
Patents

187.05124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05852 138.3
[M+Na]+ 210.04046 149.1
[M-H]- 186.04396 139.6
[M+NH4]+ 205.08506 158.1
[M+K]+ 226.01440 145.7
[M+H-H2O]+ 170.04850 132.3
[M+HCOO]- 232.04944 156.8
[M+CH3COO]- 246.06509 184.2
[M+Na-2H]- 208.02591 140.6
[M]+ 187.05069 140.4
[M]- 187.05179 140.4
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.