CID 2777581

175137-16-3

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OCC
InChI
InChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3
InChIKey
FHEOHDCVJDCEKF-UHFFFAOYSA-N
Compound name
ethyl 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 166.5
[M+Na]+ 315.08709 180.4
[M+NH4]+ 310.13169 173.7
[M+K]+ 331.06103 174.8
[M-H]- 291.09059 168.6
[M+Na-2H]- 313.07254 173.1
[M]+ 292.09732 169.3
[M]- 292.09842 169.3
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.