CID 3075569

186424-07-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂OS

SMILES

CCN1C(CNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H16N2OS/c1-3-14-11(8-13-12(14)16)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,13,16)

InChIKey

DEYNYNKUXGSFLP-UHFFFAOYSA-N

Compound name

1-ethyl-5-(4-methoxyphenyl)imidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.09833 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]+	237.105606	153.2
[M+Na]+	259.087548	161.8
[M-H]-	235.091054	156.3
[M+NH4]+	254.132153	170.5
[M+K]+	275.061488	157.0
[M+H-H2O]+	219.095590	146.2
[M+HCOO]-	281.096531	167.5
[M+CH3COO]-	295.112181	187.7
[M+Na-2H]-	257.072996	151.9
[M]+	236.09778142	153.1
[M]-	236.09887858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe