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]+ 274.155016 163.9
[M+Na]+ 296.136958 171.0
[M-H]- 272.140464 169.6
[M+NH4]+ 291.181563 179.6
[M+K]+ 312.110898 169.1
[M+H-H2O]+ 256.145000 154.7
[M+HCOO]- 318.145941 187.3
[M+CH3COO]- 332.161591 204.2
[M+Na-2H]- 294.122406 166.1
[M]+ 273.14719142 167.9
[M]- 273.14828858 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.