CID 3067450

2-(2-methoxyethoxy)ethyl oxo((4-phenyl-2-thiazolyl)amino)acetate

Structural Information

Molecular Formula
C16H18N2O5S
SMILES
COCCOCCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O5S/c1-21-7-8-22-9-10-23-15(20)14(19)18-16-17-13(11-24-16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKey
WWCOCLGHUGETIT-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.09363 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.100906 180.6
[M+Na]+ 373.082848 185.9
[M-H]- 349.086354 185.9
[M+NH4]+ 368.127453 193.9
[M+K]+ 389.056788 183.5
[M+H-H2O]+ 333.090890 172.0
[M+HCOO]- 395.091831 199.2
[M+CH3COO]- 409.107481 208.5
[M+Na-2H]- 371.068296 180.5
[M]+ 350.09308142 187.8
[M]- 350.09417858 187.8
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