CID 838513

Naphtho[2,1-d]thiazol-2-ylamine

Structural Information

Molecular Formula

C₁₁H₈N₂S

SMILES

C1=CC=C2C(=C1)C=CC3=C2SC(=N3)N

InChI

InChI=1S/C11H8N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H2,12,13)

InChIKey

LYVQRUORYRZNMM-UHFFFAOYSA-N

Compound name

benzo[g][1,3]benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 200.04082 Da
Monoisotopic Mass: 3.3
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]+	201.04810	137.4
[M+Na]+	223.03004	152.4
[M+NH4]+	218.07464	148.6
[M+K]+	239.00398	144.1
[M-H]-	199.03354	142.0
[M+Na-2H]-	221.01549	145.4
[M]+	200.04027	141.5
[M]-	200.04137	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe