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]+ 250.07418 154.1
[M+Na]+ 272.05612 167.5
[M+NH4]+ 267.10072 161.9
[M+K]+ 288.03006 162.2
[M-H]- 248.05962 157.0
[M+Na-2H]- 270.04157 161.9
[M]+ 249.06635 157.0
[M]- 249.06745 157.0
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.