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]+ 264.08983 159.3
[M+Na]+ 286.07177 168.9
[M-H]- 262.07527 163.9
[M+NH4]+ 281.11637 175.9
[M+K]+ 302.04571 163.7
[M+H-H2O]+ 246.07981 151.3
[M+HCOO]- 308.08075 177.9
[M+CH3COO]- 322.09640 197.6
[M+Na-2H]- 284.05722 161.8
[M]+ 263.08200 162.3
[M]- 263.08310 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.