CID 13303389

4-amino-5-(o-chlorophenyl)-3-pyrazolecarboxylic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2Cl)N
InChI
InChI=1S/C12H12ClN3O2/c1-2-18-12(17)11-9(14)10(15-16-11)7-5-3-4-6-8(7)13/h3-6H,2,14H2,1H3,(H,15,16)
InChIKey
YBOIMFAIMQBYSV-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 157.6
[M+Na]+ 288.05102 170.0
[M+NH4]+ 283.09562 164.3
[M+K]+ 304.02496 166.0
[M-H]- 264.05452 159.4
[M+Na-2H]- 286.03647 163.6
[M]+ 265.06125 159.9
[M]- 265.06235 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.