CID 3050493

Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(2-propenylthio)-

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CC1=COC2=NC(=NC(=C12)N)SCC=C

InChI

InChI=1S/C10H11N3OS/c1-3-4-15-10-12-8(11)7-6(2)5-14-9(7)13-10/h3,5H,1,4H2,2H3,(H2,11,12,13)

InChIKey

CNZPBJWFPMOQRM-UHFFFAOYSA-N

Compound name

5-methyl-2-prop-2-enylsulfanylfuro[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.06229 Da
Monoisotopic Mass: 2.4
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]+	222.069566	146.1
[M+Na]+	244.051508	158.5
[M-H]-	220.055014	149.6
[M+NH4]+	239.096113	164.5
[M+K]+	260.025448	154.7
[M+H-H2O]+	204.059550	139.7
[M+HCOO]-	266.060491	164.7
[M+CH3COO]-	280.076141	159.8
[M+Na-2H]-	242.036956	150.0
[M]+	221.06174142	151.5
[M]-	221.06283858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe