CID 16769319

926228-58-2

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂S

SMILES

C1COCCN1C2=NC(=C(S2)CO)C3=CC=CC=C3

InChI

InChI=1S/C14H16N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,17H,6-10H2

InChIKey

VGEHBNSWOWVQIF-UHFFFAOYSA-N

Compound name

(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.09326 Da
Monoisotopic Mass: 1.8
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]+	277.100536	160.6
[M+Na]+	299.082478	167.8
[M-H]-	275.085984	167.0
[M+NH4]+	294.127083	174.3
[M+K]+	315.056418	164.2
[M+H-H2O]+	259.090520	152.6
[M+HCOO]-	321.091461	173.8
[M+CH3COO]-	335.107111	171.6
[M+Na-2H]-	297.067926	161.3
[M]+	276.09271142	159.6
[M]-	276.09380858	159.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.