CID 3067461

81530-38-3

Structural Information

Molecular Formula

C₇H₇F₃N₂OS

SMILES

C1CSC2=NC(CC(=O)N21)C(F)(F)F

InChI

InChI=1S/C7H7F3N2OS/c8-7(9,10)4-3-5(13)12-1-2-14-6(12)11-4/h4H,1-3H2

InChIKey

WSVJVIMGWYZHJI-UHFFFAOYSA-N

Compound name

7-(trifluoromethyl)-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 224.02312 Da
Monoisotopic Mass: 1.0
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]+	225.030396	142.2
[M+Na]+	247.012338	151.9
[M-H]-	223.015844	140.2
[M+NH4]+	242.056943	161.5
[M+K]+	262.986278	148.8
[M+H-H2O]+	207.020380	134.1
[M+HCOO]-	269.021321	151.9
[M+CH3COO]-	283.036971	184.3
[M+Na-2H]-	244.997786	143.5
[M]+	224.02257142	137.9
[M]-	224.02366858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe