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]+ 293.105146 166.5
[M+Na]+ 315.087088 176.0
[M-H]- 291.090594 170.8
[M+NH4]+ 310.131693 182.3
[M+K]+ 331.061028 171.0
[M+H-H2O]+ 275.095130 158.3
[M+HCOO]- 337.096071 183.6
[M+CH3COO]- 351.111721 200.7
[M+Na-2H]- 313.072536 167.5
[M]+ 292.09732142 172.3
[M]- 292.09841858 172.3
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.