CID 86687708

1443379-45-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

COC1=CC=C(C=C1)CNC2=CSC=N2

InChI

InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)6-12-11-7-15-8-13-11/h2-5,7-8,12H,6H2,1H3

InChIKey

HQOJXWIAYFGBHI-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 220.06703 Da
Monoisotopic Mass: 2.7
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]+	221.07431	145.7
[M+Na]+	243.05625	154.3
[M-H]-	219.05975	151.7
[M+NH4]+	238.10085	165.0
[M+K]+	259.03019	150.7
[M+H-H2O]+	203.06429	138.4
[M+HCOO]-	265.06523	166.9
[M+CH3COO]-	279.08088	187.3
[M+Na-2H]-	241.04170	149.5
[M]+	220.06648	148.5
[M]-	220.06758	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe