CID 2120324

749920-71-6

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂S

SMILES

CC1=C(SC(=C1C(=O)N2CCOCC2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O2S/c1-11-13(16(19)18-7-9-20-10-8-18)15(17)21-14(11)12-5-3-2-4-6-12/h2-6H,7-10,17H2,1H3

InChIKey

CEZSXQKFAJPXBR-UHFFFAOYSA-N

Compound name

(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 302.1089 Da
Monoisotopic Mass: 2.9
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]+	303.116176	170.1
[M+Na]+	325.098118	176.7
[M-H]-	301.101624	178.8
[M+NH4]+	320.142723	184.3
[M+K]+	341.072058	173.1
[M+H-H2O]+	285.106160	162.4
[M+HCOO]-	347.107101	184.8
[M+CH3COO]-	361.122751	180.9
[M+Na-2H]-	323.083566	168.3
[M]+	302.10835142	168.5
[M]-	302.10944858	168.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.