CID 135465266

522606-44-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂S

SMILES

CC1(CSC(=NCCC2=CC=CC=C2)N1)C

InChI

InChI=1S/C13H18N2S/c1-13(2)10-16-12(15-13)14-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)

InChIKey

OOLZKKKTNMCSAF-UHFFFAOYSA-N

Compound name

4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 234.11906 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]+	235.12634	152.6
[M+Na]+	257.10828	159.5
[M-H]-	233.11178	157.7
[M+NH4]+	252.15288	173.2
[M+K]+	273.08222	155.2
[M+H-H2O]+	217.11632	145.8
[M+HCOO]-	279.11726	170.2
[M+CH3COO]-	293.13291	190.0
[M+Na-2H]-	255.09373	154.7
[M]+	234.11851	151.5
[M]-	234.11961	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.