CID 694151

216502-43-1

Structural Information

Molecular Formula

C₁₄H₁₂N₂OS

SMILES

COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H12N2OS/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16)

InChIKey

JCAWUKQDWALLIP-UHFFFAOYSA-N

Compound name

N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 256.06705 Da
Monoisotopic Mass: 4.2
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]+	257.07433	153.4
[M+Na]+	279.05627	164.2
[M-H]-	255.05977	160.9
[M+NH4]+	274.10087	172.6
[M+K]+	295.03021	159.1
[M+H-H2O]+	239.06431	146.2
[M+HCOO]-	301.06525	175.0
[M+CH3COO]-	315.08090	167.0
[M+Na-2H]-	277.04172	159.3
[M]+	256.06650	158.1
[M]-	256.06760	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe