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 190.1
[M-H]- 338.10655 188.6
[M+NH4]+ 357.14765 194.2
[M+K]+ 378.07699 182.9
[M+H-H2O]+ 322.11109 171.2
[M+HCOO]- 384.11203 198.8
[M+CH3COO]- 398.12768 191.9
[M+Na-2H]- 360.08850 181.9
[M]+ 339.11328 184.1
[M]- 339.11438 184.1
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.