CID 2526720

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

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CCl
InChI
InChI=1S/C13H14ClN3O/c1-9-3-5-11(6-4-9)17-12(7-10(2)16-17)15-13(18)8-14/h3-7H,8H2,1-2H3,(H,15,18)
InChIKey
SRFDENIIJJBKHG-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.089826 159.3
[M+Na]+ 286.071768 168.9
[M-H]- 262.075274 163.9
[M+NH4]+ 281.116373 175.9
[M+K]+ 302.045708 163.7
[M+H-H2O]+ 246.079810 151.3
[M+HCOO]- 308.080751 177.9
[M+CH3COO]- 322.096401 197.6
[M+Na-2H]- 284.057216 161.8
[M]+ 263.08200142 162.3
[M]- 263.08309858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.