CID 2317696

328109-15-5

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N

InChI

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

InChIKey

LEOZQOJMMLSBDY-UHFFFAOYSA-N

Compound name

4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 270.08267 Da
Monoisotopic Mass: 3.9
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]+	271.08995	158.8
[M+Na]+	293.07189	173.8
[M+NH4]+	288.11649	168.6
[M+K]+	309.04583	165.2
[M-H]-	269.07539	164.4
[M+Na-2H]-	291.05734	167.6
[M]+	270.08212	163.2
[M]-	270.08322	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe