CID 362273

Nsc625884

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC
InChI
InChI=1S/C12H12N2O4S/c1-3-18-11(16)10(15)14-12-13-8-5-4-7(17-2)6-9(8)19-12/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKey
SMTXEVLYROUGMC-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.0518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 160.3
[M+Na]+ 303.04102 169.6
[M-H]- 279.04452 164.5
[M+NH4]+ 298.08562 178.4
[M+K]+ 319.01496 167.3
[M+H-H2O]+ 263.04906 153.8
[M+HCOO]- 325.05000 179.7
[M+CH3COO]- 339.06565 197.3
[M+Na-2H]- 301.02647 162.9
[M]+ 280.05125 168.1
[M]- 280.05235 168.1
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

No patent data available for this compound.