CID 17541247

Ethyl 2-amino-2-[1-(4-fluorophenyl)-3,5-dimethyl-1h-pyrazol-4-yl]acetate hydrochloride

Structural Information

Molecular Formula
C15H18FN3O2
SMILES
CCOC(=O)C(C1=C(N(N=C1C)C2=CC=C(C=C2)F)C)N
InChI
InChI=1S/C15H18FN3O2/c1-4-21-15(20)14(17)13-9(2)18-19(10(13)3)12-7-5-11(16)6-8-12/h5-8,14H,4,17H2,1-3H3
InChIKey
OUYSLRXRHFCYEH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14558 168.7
[M+Na]+ 314.12752 179.1
[M+NH4]+ 309.17212 173.9
[M+K]+ 330.10146 176.1
[M-H]- 290.13102 169.1
[M+Na-2H]- 312.11297 172.9
[M]+ 291.13775 169.9
[M]- 291.13885 169.9
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.

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No patent data available for this compound.