CID 3074898

168127-34-2

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃S

SMILES

C1=CC(=CC=C1C2=CSC(=N2)N)OCC(=O)O

InChI

InChI=1S/C11H10N2O3S/c12-11-13-9(6-17-11)7-1-3-8(4-2-7)16-5-10(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)

InChIKey

HYDGPYDSIOCNTN-UHFFFAOYSA-N

Compound name

2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 250.04121 Da
Monoisotopic Mass: 1.8
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]+	251.048486	152.6
[M+Na]+	273.030428	161.1
[M-H]-	249.033934	157.1
[M+NH4]+	268.075033	169.6
[M+K]+	289.004368	157.2
[M+H-H2O]+	233.038470	145.7
[M+HCOO]-	295.039411	171.1
[M+CH3COO]-	309.055061	189.6
[M+Na-2H]-	271.015876	153.5
[M]+	250.04066142	154.5
[M]-	250.04175858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe