CID 16205954

3-(4-morpholinylmethoxy)-1,2-benzisothiazole

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

C1COCCN1COC2=NSC3=CC=CC=C32

InChI

InChI=1S/C12H14N2O2S/c1-2-4-11-10(3-1)12(13-17-11)16-9-14-5-7-15-8-6-14/h1-4H,5-9H2

InChIKey

LREZZORMGAZWDF-UHFFFAOYSA-N

Compound name

4-(1,2-benzothiazol-3-yloxymethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.0776 Da
Monoisotopic Mass: 2.4
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]+	251.084876	151.1
[M+Na]+	273.066818	159.8
[M-H]-	249.070324	156.8
[M+NH4]+	268.111423	167.7
[M+K]+	289.040758	157.5
[M+H-H2O]+	233.074860	143.7
[M+HCOO]-	295.075801	166.4
[M+CH3COO]-	309.091451	163.5
[M+Na-2H]-	271.052266	155.6
[M]+	250.07705142	153.6
[M]-	250.07814858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.