CID 10084936

4-phenyl-2h-pyrimido(2,1-b)(1,3)benzothiazol-2-one

Structural Information

Molecular Formula

C₁₆H₁₀N₂OS

SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C4=CC=CC=C4S3

InChI

InChI=1S/C16H10N2OS/c19-15-10-13(11-6-2-1-3-7-11)18-12-8-4-5-9-14(12)20-16(18)17-15/h1-10H

InChIKey

VRTFHAOXCUFUFL-UHFFFAOYSA-N

Compound name

4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.0514 Da
Monoisotopic Mass: 3.2
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]+	279.05868	158.7
[M+Na]+	301.04062	177.0
[M+NH4]+	296.08522	169.3
[M+K]+	317.01456	167.1
[M-H]-	277.04412	164.4
[M+Na-2H]-	299.02607	168.9
[M]+	278.05085	163.8
[M]-	278.05195	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe