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-5-ethyl-2-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe