CID 135529690

Chembl482433

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂S

SMILES

C1=CC=C(C(=C1)/C=N/N2C(=O)C3=CC=CC=C3S2)O

InChI

InChI=1S/C14H10N2O2S/c17-12-7-3-1-5-10(12)9-15-16-14(18)11-6-2-4-8-13(11)19-16/h1-9,17H/b15-9+

InChIKey

MKZIFAPLZKYZMW-OQLLNIDSSA-N

Compound name

2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 270.0463 Da
Monoisotopic Mass: 2.7
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]+	271.053576	157.0
[M+Na]+	293.035518	169.0
[M-H]-	269.039024	164.9
[M+NH4]+	288.080123	175.7
[M+K]+	309.009458	163.3
[M+H-H2O]+	253.043560	150.0
[M+HCOO]-	315.044501	179.0
[M+CH3COO]-	329.060151	170.8
[M+Na-2H]-	291.020966	162.1
[M]+	270.04575142	162.0
[M]-	270.04684858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.