CID 3088948

Brn 5536999

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

CCN1CC(SC1=N)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H14N2OS/c1-2-13-7-10(15-11(13)12)8-4-3-5-9(14)6-8/h3-6,10,12,14H,2,7H2,1H3

InChIKey

SIDCLJRYYFANGM-UHFFFAOYSA-N

Compound name

3-(3-ethyl-2-imino-1,3-thiazolidin-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.08269 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]+	223.08997	148.2
[M+Na]+	245.07191	156.2
[M-H]-	221.07541	152.7
[M+NH4]+	240.11651	167.0
[M+K]+	261.04585	151.6
[M+H-H2O]+	205.07995	141.8
[M+HCOO]-	267.08089	165.0
[M+CH3COO]-	281.09654	186.9
[M+Na-2H]-	243.05736	148.3
[M]+	222.08214	146.5
[M]-	222.08324	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.