CID 3067448

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

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
COCCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O4S/c1-19-7-8-20-13(18)12(17)16-14-15-11(9-21-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKey
ZSSSUXLAVXQWSM-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.0674 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 169.3
[M+Na]+ 329.05662 175.9
[M-H]- 305.06012 175.0
[M+NH4]+ 324.10122 184.6
[M+K]+ 345.03056 173.2
[M+H-H2O]+ 289.06466 161.3
[M+HCOO]- 351.06560 188.4
[M+CH3COO]- 365.08125 200.5
[M+Na-2H]- 327.04207 169.8
[M]+ 306.06685 174.5
[M]- 306.06795 174.5
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