CID 2369050

2-chloro-n-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C12H14ClN5O
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)CCl)C
InChI
InChI=1S/C12H14ClN5O/c1-7-4-8(2)15-12(14-7)18-10(5-9(3)17-18)16-11(19)6-13/h4-5H,6H2,1-3H3,(H,16,19)
InChIKey
QECGHQWJFSBDHF-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08868 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09596 163.4
[M+Na]+ 302.07790 174.3
[M-H]- 278.08140 165.8
[M+NH4]+ 297.12250 176.9
[M+K]+ 318.05184 169.0
[M+H-H2O]+ 262.08594 154.0
[M+HCOO]- 324.08688 179.5
[M+CH3COO]- 338.10253 201.6
[M+Na-2H]- 300.06335 165.6
[M]+ 279.08813 167.2
[M]- 279.08923 167.3
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.