CID 24832435

Brn 4551105

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]+ 323.10600 172.6
[M+Na]+ 345.08794 182.4
[M+NH4]+ 340.13254 178.9
[M+K]+ 361.06188 175.2
[M-H]- 321.09144 173.5
[M+Na-2H]- 343.07339 175.4
[M]+ 322.09817 174.4
[M]- 322.09927 174.4
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.