CID 2080976

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

Structural Information

Molecular Formula
C14H16ClN3O
SMILES
CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCl)C
InChI
InChI=1S/C14H16ClN3O/c1-9-4-6-12(7-5-9)18-11(3)14(10(2)17-18)16-13(19)8-15/h4-7H,8H2,1-3H3,(H,16,19)
InChIKey
KGFGQTIOBSNTKL-UHFFFAOYSA-N
Compound name
2-chloro-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

277.09818 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.105456 163.9
[M+Na]+ 300.087398 174.0
[M-H]- 276.090904 168.7
[M+NH4]+ 295.132003 180.3
[M+K]+ 316.061338 168.5
[M+H-H2O]+ 260.095440 156.0
[M+HCOO]- 322.096381 182.1
[M+CH3COO]- 336.112031 201.8
[M+Na-2H]- 298.072846 165.1
[M]+ 277.09763142 167.6
[M]- 277.09872858 167.6
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.