CID 234497

6634-87-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H14N2OS/c1-2-18-12-9-7-11(8-10-12)16-15-17-13-5-3-4-6-14(13)19-15/h3-10H,2H2,1H3,(H,16,17)

InChIKey

QUFFMFMGOVRDIM-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 115
Patents: 270.08267 Da
Monoisotopic Mass: 4.6
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]+	271.089946	157.8
[M+Na]+	293.071888	168.2
[M-H]-	269.075394	165.2
[M+NH4]+	288.116493	176.4
[M+K]+	309.045828	162.8
[M+H-H2O]+	253.079930	150.5
[M+HCOO]-	315.080871	179.1
[M+CH3COO]-	329.096521	171.0
[M+Na-2H]-	291.057336	163.2
[M]+	270.08212142	162.9
[M]-	270.08321858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe