CID 16788251

N-(4-aminophenyl)-2-(1h-1,2,4-triazol-1-yl)propanamide

Structural Information

Molecular Formula

C₁₁H₁₃N₅O

SMILES

CC(C(=O)NC1=CC=C(C=C1)N)N2C=NC=N2

InChI

InChI=1S/C11H13N5O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-9(12)3-5-10/h2-8H,12H2,1H3,(H,15,17)

InChIKey

JIILXZLKCRZMIC-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.11201 Da
Monoisotopic Mass: 0.7
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]+	232.119286	150.9
[M+Na]+	254.101228	157.6
[M-H]-	230.104734	153.7
[M+NH4]+	249.145833	165.3
[M+K]+	270.075168	154.7
[M+H-H2O]+	214.109270	141.3
[M+HCOO]-	276.110211	173.0
[M+CH3COO]-	290.125861	193.8
[M+Na-2H]-	252.086676	155.1
[M]+	231.11146142	148.7
[M]-	231.11255858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.