CID 135418949

Maybridge3_005257

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS

SMILES

C1CC1C2=NC3=C(CSCC3)C(=O)N2

InChI

InChI=1S/C10H12N2OS/c13-10-7-5-14-4-3-8(7)11-9(12-10)6-1-2-6/h6H,1-5H2,(H,11,12,13)

InChIKey

CLKYVIXIGHMFGP-UHFFFAOYSA-N

Compound name

2-cyclopropyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 208.06703 Da
Monoisotopic Mass: 0.2
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]+	209.074306	144.8
[M+Na]+	231.056248	154.9
[M-H]-	207.059754	148.8
[M+NH4]+	226.100853	157.2
[M+K]+	247.030188	149.3
[M+H-H2O]+	191.064290	137.4
[M+HCOO]-	253.065231	158.1
[M+CH3COO]-	267.080881	156.0
[M+Na-2H]-	229.041696	148.8
[M]+	208.06648142	144.9
[M]-	208.06757858	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.