CID 2113070

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

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O/c1-13-8-9-14(2)16(10-13)17-11-18(21-19(24)12-20)23(22-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKey
HDBDWVJFZFZESW-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(2,5-dimethylphenyl)-2-phenylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11383 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 181.0
[M+Na]+ 362.10305 196.7
[M+NH4]+ 357.14765 188.8
[M+K]+ 378.07699 189.6
[M-H]- 338.10655 186.7
[M+Na-2H]- 360.08850 190.5
[M]+ 339.11328 185.2
[M]- 339.11438 185.2
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.