CID 2452200

2-chloro-n-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)acetamide

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCl
InChI
InChI=1S/C13H14ClN3O/c1-9-13(15-12(18)8-14)10(2)17(16-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,18)
InChIKey
NZZOTUMBWBHBJT-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

263.08255 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08983 159.3
[M+Na]+ 286.07177 168.9
[M-H]- 262.07527 163.9
[M+NH4]+ 281.11637 175.9
[M+K]+ 302.04571 163.7
[M+H-H2O]+ 246.07981 151.3
[M+HCOO]- 308.08075 177.9
[M+CH3COO]- 322.09640 197.6
[M+Na-2H]- 284.05722 161.8
[M]+ 263.08200 162.3
[M]- 263.08310 162.3
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