CID 211346

22916-53-6

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂S

SMILES

C1COCCN1CC2C(=O)N3C4=CC=CC=C4N=C3S2

InChI

InChI=1S/C14H15N3O2S/c18-13-12(9-16-5-7-19-8-6-16)20-14-15-10-3-1-2-4-11(10)17(13)14/h1-4,12H,5-9H2

InChIKey

LFGXPDRGMZWIDX-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.0885 Da
Monoisotopic Mass: 1.7
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]+	290.095776	162.9
[M+Na]+	312.077718	173.1
[M-H]-	288.081224	168.7
[M+NH4]+	307.122323	179.7
[M+K]+	328.051658	169.9
[M+H-H2O]+	272.085760	156.1
[M+HCOO]-	334.086701	175.6
[M+CH3COO]-	348.102351	174.7
[M+Na-2H]-	310.063166	163.4
[M]+	289.08795142	165.3
[M]-	289.08904858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.