CID 2079389

Sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C17H13NO3S
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=CS3)CC(=O)O
InChI
InChI=1S/C17H13NO3S/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14/h1-9,11H,10H2,(H,19,20)
InChIKey
MOWUHSQDLIPEDF-UHFFFAOYSA-N
Compound name
2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

311.0616 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06888 170.2
[M+Na]+ 334.05082 178.4
[M-H]- 310.05432 178.1
[M+NH4]+ 329.09542 184.8
[M+K]+ 350.02476 173.3
[M+H-H2O]+ 294.05886 162.2
[M+HCOO]- 356.05980 188.0
[M+CH3COO]- 370.07545 181.7
[M+Na-2H]- 332.03627 170.8
[M]+ 311.06105 173.3
[M]- 311.06215 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.