CID 215131

N-(5-chloro-2-thiazolyl)-4-morpholineethanamine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄ClN₃OS

SMILES

C1COCCN1CCNC2=NC=C(S2)Cl

InChI

InChI=1S/C9H14ClN3OS/c10-8-7-12-9(15-8)11-1-2-13-3-5-14-6-4-13/h7H,1-6H2,(H,11,12)

InChIKey

LOPUZKVLHSGCDP-UHFFFAOYSA-N

Compound name

5-chloro-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.05461 Da
Monoisotopic Mass: 1.9
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]+	248.061886	152.1
[M+Na]+	270.043828	159.0
[M-H]-	246.047334	156.2
[M+NH4]+	265.088433	168.2
[M+K]+	286.017768	156.0
[M+H-H2O]+	230.051870	144.8
[M+HCOO]-	292.052811	162.7
[M+CH3COO]-	306.068461	163.3
[M+Na-2H]-	268.029276	153.8
[M]+	247.05406142	152.6
[M]-	247.05515858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.