CID 2758374

436151-87-0

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C1COC2=C1C=C(C=C2)C3=CSC(=N3)N

InChI

InChI=1S/C11H10N2OS/c12-11-13-9(6-15-11)7-1-2-10-8(5-7)3-4-14-10/h1-2,5-6H,3-4H2,(H2,12,13)

InChIKey

YREUPBBWTZDQPA-UHFFFAOYSA-N

Compound name

4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 218.05139 Da
Monoisotopic Mass: 2.3
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]+	219.05867	144.2
[M+Na]+	241.04061	156.3
[M+NH4]+	236.08521	154.2
[M+K]+	257.01455	151.7
[M-H]-	217.04411	149.9
[M+Na-2H]-	239.02606	150.2
[M]+	218.05084	148.0
[M]-	218.05194	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe