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

6
Patents

320.08307 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.090346 173.7
[M+Na]+ 343.072288 179.8
[M-H]- 319.075794 179.2
[M+NH4]+ 338.116893 188.4
[M+K]+ 359.046228 177.0
[M+H-H2O]+ 303.080330 165.5
[M+HCOO]- 365.081271 192.4
[M+CH3COO]- 379.096921 203.5
[M+Na-2H]- 341.057736 173.7
[M]+ 320.08252142 179.2
[M]- 320.08361858 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