CID 2453580

2-chloro-n-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C18H16ClN3O
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C18H16ClN3O/c1-13-7-9-14(10-8-13)16-11-17(20-18(23)12-19)22(21-16)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)
InChIKey
RFGPJLHZNCTJPI-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.09818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10546 176.1
[M+Na]+ 348.08740 184.8
[M-H]- 324.09090 183.5
[M+NH4]+ 343.13200 189.6
[M+K]+ 364.06134 177.8
[M+H-H2O]+ 308.09544 166.3
[M+HCOO]- 370.09638 194.3
[M+CH3COO]- 384.11203 187.1
[M+Na-2H]- 346.07285 178.3
[M]+ 325.09763 178.5
[M]- 325.09873 178.5
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

No patent data available for this compound.