CID 65974

Olpimedone

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

CC1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C7H10N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h5H,2-4H2,1H3

InChIKey

SFRKFKTUSAUZMI-UHFFFAOYSA-N

Compound name

7-methyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 170.05139 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]+	171.058666	133.8
[M+Na]+	193.040608	143.1
[M-H]-	169.044114	135.8
[M+NH4]+	188.085213	155.4
[M+K]+	209.014548	140.9
[M+H-H2O]+	153.048650	128.0
[M+HCOO]-	215.049591	148.2
[M+CH3COO]-	229.065241	147.0
[M+Na-2H]-	191.026056	135.9
[M]+	170.05084142	133.4
[M]-	170.05193858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe