CID 95764

6269-47-2

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

COC1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11NOS/c1-16-12-8-4-2-6-10(12)14-15-11-7-3-5-9-13(11)17-14/h2-9H,1H3

InChIKey

UAKADWQYPAMUOJ-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenyl)-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 183
Patents: 241.05614 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]+	242.063416	150.5
[M+Na]+	264.045358	162.3
[M-H]-	240.048864	158.3
[M+NH4]+	259.089963	170.8
[M+K]+	280.019298	157.4
[M+H-H2O]+	224.053400	143.8
[M+HCOO]-	286.054341	171.2
[M+CH3COO]-	300.069991	164.8
[M+Na-2H]-	262.030806	155.6
[M]+	241.05559142	155.9
[M]-	241.05668858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe