CID 648057

79932-21-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂S

SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=N2)N

InChI

InChI=1S/C13H14N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15)

InChIKey

ULKFNJBNISYXTB-UHFFFAOYSA-N

Compound name

6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 10
Patents: 230.08777 Da
Monoisotopic Mass: 3.1
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]+	231.09505	148.5
[M+Na]+	253.07699	161.3
[M+NH4]+	248.12159	159.1
[M+K]+	269.05093	153.2
[M-H]-	229.08049	154.0
[M+Na-2H]-	251.06244	156.0
[M]+	230.08722	152.4
[M]-	230.08832	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe