CID 55294

84761-93-3

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C
InChI
InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKey
FEDKXZRSVIBYDP-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.05685 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 157.4
[M+Na]+ 287.04607 167.0
[M-H]- 263.04957 161.7
[M+NH4]+ 282.09067 176.3
[M+K]+ 303.02001 164.1
[M+H-H2O]+ 247.05411 151.1
[M+HCOO]- 309.05505 176.6
[M+CH3COO]- 323.07070 195.2
[M+Na-2H]- 285.03152 159.8
[M]+ 264.05630 163.8
[M]- 264.05740 163.8
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.