CID 24843437

Brn 4567070

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N\OC(C)C(=O)OCC)/C
InChI
InChI=1S/C17H22N2O4S/c1-5-19-14-9-13(7-8-15(14)24-10-16(19)20)11(3)18-23-12(4)17(21)22-6-2/h7-9,12H,5-6,10H2,1-4H3/b18-11-
InChIKey
LZPMSQILLJJADI-WQRHYEAKSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 180.3
[M+Na]+ 373.11926 185.2
[M-H]- 349.12276 183.7
[M+NH4]+ 368.16386 193.8
[M+K]+ 389.09320 183.0
[M+H-H2O]+ 333.12730 172.3
[M+HCOO]- 395.12824 193.3
[M+CH3COO]- 409.14389 217.8
[M+Na-2H]- 371.10471 179.2
[M]+ 350.12949 185.7
[M]- 350.13059 185.7
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.