CID 2804526

Cds1_000571

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂S

SMILES

COC1=CC=C(C=C1)N=C(N2CCOCC2)SC

InChI

InChI=1S/C13H18N2O2S/c1-16-12-5-3-11(4-6-12)14-13(18-2)15-7-9-17-10-8-15/h3-6H,7-10H2,1-2H3

InChIKey

ADWYXMRFPLOTPV-UHFFFAOYSA-N

Compound name

methyl N-(4-methoxyphenyl)morpholine-4-carboximidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 266.1089 Da
Monoisotopic Mass: 2.1
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]+	267.116176	160.6
[M+Na]+	289.098118	165.6
[M-H]-	265.101624	167.1
[M+NH4]+	284.142723	175.2
[M+K]+	305.072058	164.2
[M+H-H2O]+	249.106160	152.1
[M+HCOO]-	311.107101	176.0
[M+CH3COO]-	325.122751	197.1
[M+Na-2H]-	287.083566	163.1
[M]+	266.10835142	161.1
[M]-	266.10944858	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.