CID 13446792

Ethyl 3-anilino-1,5-dimethyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCOC(=O)C1=C(N(N=C1NC2=CC=CC=C2)C)C
InChI
InChI=1S/C14H17N3O2/c1-4-19-14(18)12-10(2)17(3)16-13(12)15-11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,16)
InChIKey
BXQGGGAPMZWLAO-UHFFFAOYSA-N
Compound name
ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 160.5
[M+Na]+ 282.12130 172.5
[M+NH4]+ 277.16590 167.0
[M+K]+ 298.09524 168.4
[M-H]- 258.12480 162.8
[M+Na-2H]- 280.10675 166.9
[M]+ 259.13153 162.6
[M]- 259.13263 162.6
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.

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