CID 3067449

2-ethoxyethyl n-(4-phenylthiazol-2-yl)oxamate

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CCOCCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O4S/c1-2-20-8-9-21-14(19)13(18)17-15-16-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKey
ZOOQXNXFZXSKMS-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.08307 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 173.7
[M+Na]+ 343.07229 179.8
[M-H]- 319.07579 179.2
[M+NH4]+ 338.11689 188.4
[M+K]+ 359.04623 177.0
[M+H-H2O]+ 303.08033 165.5
[M+HCOO]- 365.08127 192.4
[M+CH3COO]- 379.09692 203.5
[M+Na-2H]- 341.05774 173.7
[M]+ 320.08252 179.2
[M]- 320.08362 179.2
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