CID 13303394

3-pyrazolecarboxylic acid, 4-amino-5-(p-(dimethylamino)phenyl)-, ethyl ester

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)N(C)C)N

InChI

InChI=1S/C14H18N4O2/c1-4-20-14(19)13-11(15)12(16-17-13)9-5-7-10(8-6-9)18(2)3/h5-8H,4,15H2,1-3H3,(H,16,17)

InChIKey

YZASAZUDNNQJRU-UHFFFAOYSA-N

Compound name

ethyl 4-amino-3-[4-(dimethylamino)phenyl]-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.14297 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.150246	163.9
[M+Na]+	297.132188	171.0
[M-H]-	273.135694	168.4
[M+NH4]+	292.176793	178.5
[M+K]+	313.106128	168.2
[M+H-H2O]+	257.140230	155.0
[M+HCOO]-	319.141171	186.6
[M+CH3COO]-	333.156821	204.5
[M+Na-2H]-	295.117636	165.0
[M]+	274.14242142	164.4
[M]-	274.14351858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.