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 171.6
[M+Na]+ 345.08794 177.8
[M-H]- 321.09144 175.4
[M+NH4]+ 340.13254 186.4
[M+K]+ 361.06188 175.4
[M+H-H2O]+ 305.09598 163.8
[M+HCOO]- 367.09692 186.4
[M+CH3COO]- 381.11257 211.0
[M+Na-2H]- 343.07339 172.4
[M]+ 322.09817 176.9
[M]- 322.09927 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.