CID 215126

Dtxsid00956472

Structural Information

Molecular Formula

C₉H₁₂ClN₃O₂S

SMILES

C1COCCN1CC(=O)NC2=NC=C(S2)Cl

InChI

InChI=1S/C9H12ClN3O2S/c10-7-5-11-9(16-7)12-8(14)6-13-1-3-15-4-2-13/h5H,1-4,6H2,(H,11,12,14)

InChIKey

NDIORBAJKSWQEO-UHFFFAOYSA-N

Compound name

N-(5-chloro-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03387 Da
Monoisotopic Mass: 1.1
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]+	262.041146	155.2
[M+Na]+	284.023088	162.0
[M-H]-	260.026594	159.6
[M+NH4]+	279.067693	170.5
[M+K]+	299.997028	159.3
[M+H-H2O]+	244.031130	148.0
[M+HCOO]-	306.032071	165.2
[M+CH3COO]-	320.047721	190.3
[M+Na-2H]-	282.008536	156.1
[M]+	261.03332142	155.9
[M]-	261.03441858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.