CID 3041683

Pz-250

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
CN(CCO)C(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H16ClN3O3/c1-17(6-7-19)14(20)12-9-13(21-2)18(16-12)11-5-3-4-10(15)8-11/h3-5,8-9,19H,6-7H2,1-2H3
InChIKey
MBQYVVNQFSAMHR-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.088 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 168.6
[M+Na]+ 332.07722 177.1
[M-H]- 308.08072 173.3
[M+NH4]+ 327.12182 183.2
[M+K]+ 348.05116 173.5
[M+H-H2O]+ 292.08526 160.3
[M+HCOO]- 354.08620 186.4
[M+CH3COO]- 368.10185 205.7
[M+Na-2H]- 330.06267 169.7
[M]+ 309.08745 174.2
[M]- 309.08855 174.2
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.