CID 9570867

Brn 4589723

Structural Information

Molecular Formula
C20H29N3O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC(=O)OCCN(CC)CC)/C
InChI
InChI=1S/C20H29N3O4S/c1-5-22(6-2)10-11-26-20(25)13-27-21-15(4)16-8-9-18-17(12-16)23(7-3)19(24)14-28-18/h8-9,12H,5-7,10-11,13-14H2,1-4H3/b21-15+
InChIKey
AZGSBWHZOUNMEK-RCCKNPSSSA-N
Compound name
2-(diethylamino)ethyl 2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.18787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19515 196.3
[M+Na]+ 430.17709 203.9
[M+NH4]+ 425.22169 201.4
[M+K]+ 446.15103 196.7
[M-H]- 406.18059 197.5
[M+Na-2H]- 428.16254 198.1
[M]+ 407.18732 197.8
[M]- 407.18842 197.8
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.