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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 152.6
[M+Na]+ 273.03043 161.1
[M-H]- 249.03393 157.1
[M+NH4]+ 268.07503 169.6
[M+K]+ 289.00437 157.2
[M+H-H2O]+ 233.03847 145.7
[M+HCOO]- 295.03941 171.1
[M+CH3COO]- 309.05506 189.6
[M+Na-2H]- 271.01588 153.5
[M]+ 250.04066 154.5
[M]- 250.04176 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe