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

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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]+ 264.08983 158.7
[M+Na]+ 286.07177 172.3
[M+NH4]+ 281.11637 166.3
[M+K]+ 302.04571 166.9
[M-H]- 262.07527 161.7
[M+Na-2H]- 284.05722 166.0
[M]+ 263.08200 161.6
[M]- 263.08310 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.