CID 39382

43087-91-8

Structural Information

Molecular Formula

C₁₃H₁₀N₂S

SMILES

C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)N

InChI

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

InChIKey

GPBQVPZBUKXEJQ-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-benzothiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
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