CID 4642166

Ethyl 1-(2,5-dichlorobenzyl)-3-phenyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C19H16Cl2N2O2
SMILES
CCOC(=O)C1=CC(=NN1CC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H16Cl2N2O2/c1-2-25-19(24)18-11-17(13-6-4-3-5-7-13)22-23(18)12-14-10-15(20)8-9-16(14)21/h3-11H,2,12H2,1H3
InChIKey
AFQBXGZNXISBJK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2,5-dichlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.05887 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06615 185.3
[M+Na]+ 397.04809 195.5
[M-H]- 373.05159 192.1
[M+NH4]+ 392.09269 197.8
[M+K]+ 413.02203 188.0
[M+H-H2O]+ 357.05613 175.9
[M+HCOO]- 419.05707 197.0
[M+CH3COO]- 433.07272 195.8
[M+Na-2H]- 395.03354 184.9
[M]+ 374.05832 191.6
[M]- 374.05942 191.6
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.