CID 667680

29483-73-6

Structural Information

Molecular Formula

C₁₃H₁₀N₂S

SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2

InChIKey

RAASYFFQTCWEKN-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 175
Patents: 226.05647 Da
Monoisotopic Mass: 3.6
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]+	227.06375	145.7
[M+Na]+	249.04569	161.3
[M+NH4]+	244.09029	156.5
[M+K]+	265.01963	152.5
[M-H]-	225.04919	151.9
[M+Na-2H]-	247.03114	155.8
[M]+	226.05592	150.4
[M]-	226.05702	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe