CID 3068161

83089-58-1

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CO2
InChI
InChI=1S/C11H10N2O4S/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKey
XMEWWFLNPIMVLI-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 158.5
[M+Na]+ 289.02535 167.6
[M-H]- 265.02885 166.2
[M+NH4]+ 284.06995 176.3
[M+K]+ 304.99929 166.9
[M+H-H2O]+ 249.03339 152.1
[M+HCOO]- 311.03433 180.0
[M+CH3COO]- 325.04998 191.7
[M+Na-2H]- 287.01080 159.4
[M]+ 266.03558 165.5
[M]- 266.03668 165.5
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.