CID 24832435

91119-76-5

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
CCOC(=O)CO/N=C(/C)\C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C15H18N2O4S/c1-4-20-15(19)8-21-16-10(2)11-5-6-13-12(7-11)17(3)14(18)9-22-13/h5-7H,4,8-9H2,1-3H3/b16-10-
InChIKey
GNJRMANZNABSAG-YBEGLDIGSA-N
Compound name
ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09872 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 171.6
[M+Na]+ 345.087938 177.8
[M-H]- 321.091444 175.4
[M+NH4]+ 340.132543 186.4
[M+K]+ 361.061878 175.4
[M+H-H2O]+ 305.095980 163.8
[M+HCOO]- 367.096921 186.4
[M+CH3COO]- 381.112571 211.0
[M+Na-2H]- 343.073386 172.4
[M]+ 322.09817142 176.9
[M]- 322.09926858 176.9
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.