CID 613217

15850-29-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)N

InChI

InChI=1S/C11H12N2OS/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)

InChIKey

DBVFYWQXVNAKCZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 220.06703 Da
Monoisotopic Mass: 2.9
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]+	221.074306	146.1
[M+Na]+	243.056248	155.6
[M-H]-	219.059754	152.0
[M+NH4]+	238.100853	165.5
[M+K]+	259.030188	151.7
[M+H-H2O]+	203.064290	139.2
[M+HCOO]-	265.065231	166.7
[M+CH3COO]-	279.080881	187.8
[M+Na-2H]-	241.041696	148.2
[M]+	220.06648142	148.4
[M]-	220.06757858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe