CID 7064095

150208-26-7

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂S

SMILES

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N

InChI

InChI=1S/C10H11N3O2S/c1-6(14)12-4-7-2-3-9(15-7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)

InChIKey

HMOORGLQDZENJJ-UHFFFAOYSA-N

Compound name

N-[[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 237.0572 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]+	238.06448	151.8
[M+Na]+	260.04642	161.5
[M+NH4]+	255.09102	159.1
[M+K]+	276.02036	158.8
[M-H]-	236.04992	155.9
[M+Na-2H]-	258.03187	156.8
[M]+	237.05665	154.5
[M]-	237.05775	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe