CID 4962597

1008283-83-7

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)N

InChI

InChI=1S/C15H19N3O2/c1-4-20-15(19)14(16)13-10(2)17-18(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4,16H2,1-3H3

InChIKey

YRZKMHWKNNIQCJ-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

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

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]+	274.155016	164.8
[M+Na]+	296.136958	172.4
[M-H]-	272.140464	169.0
[M+NH4]+	291.181563	179.8
[M+K]+	312.110898	169.3
[M+H-H2O]+	256.145000	156.2
[M+HCOO]-	318.145941	186.0
[M+CH3COO]-	332.161591	202.3
[M+Na-2H]-	294.122406	164.7
[M]+	273.14719142	166.3
[M]-	273.14828858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.