CID 511726

Chembl2397709

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

CC1=CC2=C(C=C1)SN=C2N=CC3=CC=CC=C3O

InChI

InChI=1S/C15H12N2OS/c1-10-6-7-14-12(8-10)15(17-19-14)16-9-11-4-2-3-5-13(11)18/h2-9,18H,1H3

InChIKey

IMWXYADLXISWGE-UHFFFAOYSA-N

Compound name

2-[(5-methyl-1,2-benzothiazol-3-yl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 268.06705 Da
Monoisotopic Mass: 4.0
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]+	269.07433	158.1
[M+Na]+	291.05627	169.7
[M-H]-	267.05977	165.9
[M+NH4]+	286.10087	177.1
[M+K]+	307.03021	163.7
[M+H-H2O]+	251.06431	151.1
[M+HCOO]-	313.06525	179.5
[M+CH3COO]-	327.08090	171.7
[M+Na-2H]-	289.04172	162.7
[M]+	268.06650	162.8
[M]-	268.06760	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.