CID 3078895

Brn 4196852

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂S

SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C16H14N2O2S/c1-9-7-12-14(8-10(9)2)21-16(17-12)18-15(20)11-5-3-4-6-13(11)19/h3-8,19H,1-2H3,(H,17,18,20)

InChIKey

NYYMIIUAKQPPFT-UHFFFAOYSA-N

Compound name

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.0776 Da
Monoisotopic Mass: 4.5
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]+	299.084876	166.4
[M+Na]+	321.066818	177.2
[M-H]-	297.070324	173.1
[M+NH4]+	316.111423	183.5
[M+K]+	337.040758	171.4
[M+H-H2O]+	281.074860	159.7
[M+HCOO]-	343.075801	185.0
[M+CH3COO]-	357.091451	178.8
[M+Na-2H]-	319.052266	168.6
[M]+	298.07705142	170.9
[M]-	298.07814858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.