CID 173886

4-alanylaminoantipyrine

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N

InChI

InChI=1S/C14H18N4O2/c1-9(15)13(19)16-12-10(2)17(3)18(14(12)20)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3,(H,16,19)

InChIKey

OQLNWFVUXWWSTH-UHFFFAOYSA-N

Compound name

2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 274.14297 Da
Monoisotopic Mass: -0.5
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	163.7
[M+Na]+	297.132188	172.0
[M-H]-	273.135694	168.5
[M+NH4]+	292.176793	178.6
[M+K]+	313.106128	168.6
[M+H-H2O]+	257.140230	155.2
[M+HCOO]-	319.141171	186.5
[M+CH3COO]-	333.156821	205.1
[M+Na-2H]-	295.117636	163.9
[M]+	274.14242142	163.9
[M]-	274.14351858	163.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.