CID 2303676

4-benzofuran-2-yl-thiazol-2-ylamine

Structural Information

Molecular Formula

C₁₁H₈N₂OS

SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)N

InChI

InChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)

InChIKey

IQIAVCUUQIGJPO-UHFFFAOYSA-N

Compound name

4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 29
Patents: 216.03574 Da
Monoisotopic Mass: 2.7
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]+	217.04302	142.4
[M+Na]+	239.02496	156.3
[M+NH4]+	234.06956	152.5
[M+K]+	254.99890	151.2
[M-H]-	215.02846	148.5
[M+Na-2H]-	237.01041	150.0
[M]+	216.03519	146.7
[M]-	216.03629	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe