CID 3067751

2h-pyrido(3,2-e)(1,3)thiazine-6-carboxylic acid, 3,4-dihydro-2-(butylimino)-3,7-dimethyl-4-oxo-, ethyl ester

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CCCCN=C1N(C(=O)C2=CC(=C(N=C2S1)C)C(=O)OCC)C
InChI
InChI=1S/C16H21N3O3S/c1-5-7-8-17-16-19(4)14(20)12-9-11(15(21)22-6-2)10(3)18-13(12)23-16/h9H,5-8H2,1-4H3
InChIKey
FHDILFXYRZIQLF-UHFFFAOYSA-N
Compound name
ethyl 2-butylimino-3,7-dimethyl-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13037 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 176.5
[M+Na]+ 358.11959 186.7
[M-H]- 334.12309 180.3
[M+NH4]+ 353.16419 190.5
[M+K]+ 374.09353 182.2
[M+H-H2O]+ 318.12763 168.2
[M+HCOO]- 380.12857 193.3
[M+CH3COO]- 394.14422 215.6
[M+Na-2H]- 356.10504 178.0
[M]+ 335.12982 185.3
[M]- 335.13092 185.3
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.