CID 3050490

66505-62-2

Structural Information

Molecular Formula

C₉H₁₁N₃OS

SMILES

CCSC1=NC(=C2C(=COC2=N1)C)N

InChI

InChI=1S/C9H11N3OS/c1-3-14-9-11-7(10)6-5(2)4-13-8(6)12-9/h4H,3H2,1-2H3,(H2,10,11,12)

InChIKey

KZDDDJLPNFCBOY-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-5-methylfuro[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.06229 Da
Monoisotopic Mass: 2.2
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]+	210.06957	142.2
[M+Na]+	232.05151	154.7
[M-H]-	208.05501	145.8
[M+NH4]+	227.09611	161.2
[M+K]+	248.02545	151.8
[M+H-H2O]+	192.05955	136.0
[M+HCOO]-	254.06049	161.0
[M+CH3COO]-	268.07614	156.3
[M+Na-2H]-	230.03696	146.7
[M]+	209.06174	148.0
[M]-	209.06284	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe