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 167.3
[M+Na]+ 314.12752 175.8
[M-H]- 290.13102 170.5
[M+NH4]+ 309.17212 181.8
[M+K]+ 330.10146 172.3
[M+H-H2O]+ 274.13556 158.0
[M+HCOO]- 336.13650 187.5
[M+CH3COO]- 350.15215 206.3
[M+Na-2H]- 312.11297 165.9
[M]+ 291.13775 168.2
[M]- 291.13885 168.2
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.