CID 24844209

Pyrazole-4-carboxylic acid, 5-(n,n-dimethylformimidoyl)-1-phenyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)CN(C)C
InChI
InChI=1S/C15H19N3O2/c1-4-20-15(19)13-10-16-18(14(13)11-17(2)3)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3
InChIKey
KJSKSRUGMLACHL-UHFFFAOYSA-N
Compound name
ethyl 5-[(dimethylamino)methyl]-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.9
[M+Na]+ 296.13696 171.0
[M-H]- 272.14046 169.6
[M+NH4]+ 291.18156 179.6
[M+K]+ 312.11090 169.1
[M+H-H2O]+ 256.14500 154.7
[M+HCOO]- 318.14594 187.3
[M+CH3COO]- 332.16159 204.2
[M+Na-2H]- 294.12241 166.1
[M]+ 273.14719 167.9
[M]- 273.14829 167.9
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.

Patent stripe

No patent data available for this compound.