CID 2778792

82191-17-1

Structural Information

Molecular Formula
C12H13NO3S
SMILES
CCOC(=O)CC1C(=O)NC2=CC=CC=C2S1
InChI
InChI=1S/C12H13NO3S/c1-2-16-11(14)7-10-12(15)13-8-5-3-4-6-9(8)17-10/h3-6,10H,2,7H2,1H3,(H,13,15)
InChIKey
RLTFSIFTPSJBLB-UHFFFAOYSA-N
Compound name
ethyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

251.06161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06889 153.0
[M+Na]+ 274.05083 160.0
[M-H]- 250.05433 154.4
[M+NH4]+ 269.09543 169.7
[M+K]+ 290.02477 156.1
[M+H-H2O]+ 234.05887 146.6
[M+HCOO]- 296.05981 165.6
[M+CH3COO]- 310.07546 189.3
[M+Na-2H]- 272.03628 155.4
[M]+ 251.06106 153.9
[M]- 251.06216 153.9
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

patents stripe