CID 3041681

Pz-249

Structural Information

Molecular Formula
C13H14ClN3O3
SMILES
COC1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)NCCO
InChI
InChI=1S/C13H14ClN3O3/c1-20-12-8-11(13(19)15-5-6-18)16-17(12)10-4-2-3-9(14)7-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,19)
InChIKey
XJOCXJRRQCMGND-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-(2-hydroxyethyl)-5-methoxypyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07236 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07964 164.3
[M+Na]+ 318.06158 173.1
[M-H]- 294.06508 167.7
[M+NH4]+ 313.10618 178.8
[M+K]+ 334.03552 168.4
[M+H-H2O]+ 278.06962 156.4
[M+HCOO]- 340.07056 181.9
[M+CH3COO]- 354.08621 199.4
[M+Na-2H]- 316.04703 166.7
[M]+ 295.07181 168.3
[M]- 295.07291 168.3
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.