CID 3342412

105512-83-2

Structural Information

Molecular Formula

C₁₆H₁₄N₂OS

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSC(=N3)N

InChI

InChI=1S/C16H14N2OS/c17-16-18-15(11-20-16)13-6-8-14(9-7-13)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)

InChIKey

WIHRKMVWGOESGZ-UHFFFAOYSA-N

Compound name

4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 282.08267 Da
Monoisotopic Mass: 3.7
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]+	283.089946	162.5
[M+Na]+	305.071888	171.4
[M-H]-	281.075394	171.2
[M+NH4]+	300.116493	178.9
[M+K]+	321.045828	165.6
[M+H-H2O]+	265.079930	154.3
[M+HCOO]-	327.080871	183.0
[M+CH3COO]-	341.096521	174.8
[M+Na-2H]-	303.057336	164.6
[M]+	282.08212142	164.0
[M]-	282.08321858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe