CID 599269

2-chloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)acetamide

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
CC1=NN(C(=C1)NC(=O)CCl)C2=CC=CC=C2
InChI
InChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)
InChIKey
WITNPEBNOYWOGB-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0669 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.074176 154.6
[M+Na]+ 272.056118 163.7
[M-H]- 248.059624 158.9
[M+NH4]+ 267.100723 171.5
[M+K]+ 288.030058 158.7
[M+H-H2O]+ 232.064160 146.4
[M+HCOO]- 294.065101 173.5
[M+CH3COO]- 308.080751 193.5
[M+Na-2H]- 270.041566 158.4
[M]+ 249.06635142 156.8
[M]- 249.06744858 156.8
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.