CID 619280

7-methyl-2-diethylamino-2-ethoxycarbonyl-2h-1,4-benzthiazin-3(4h)-one

Structural Information

Molecular Formula
C16H22N2O3S
SMILES
CCN(CC)C1(C(=O)NC2=C(S1)C=C(C=C2)C)C(=O)OCC
InChI
InChI=1S/C16H22N2O3S/c1-5-18(6-2)16(15(20)21-7-3)14(19)17-12-9-8-11(4)10-13(12)22-16/h8-10H,5-7H2,1-4H3,(H,17,19)
InChIKey
DGOYFIDOIXRNRT-UHFFFAOYSA-N
Compound name
ethyl 2-(diethylamino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.1351 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14238 172.6
[M+Na]+ 345.12432 178.7
[M-H]- 321.12782 175.0
[M+NH4]+ 340.16892 188.9
[M+K]+ 361.09826 175.7
[M+H-H2O]+ 305.13236 166.0
[M+HCOO]- 367.13330 185.1
[M+CH3COO]- 381.14895 210.4
[M+Na-2H]- 343.10977 174.0
[M]+ 322.13455 176.2
[M]- 322.13565 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.