CID 3067847

2h-pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(butylimino)-3,7-dimethyl-4-oxo-, methyl ester

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CCCCN=C1N(C(=O)C2=C(C=C(N=C2S1)C)C(=O)OC)C
InChI
InChI=1S/C15H19N3O3S/c1-5-6-7-16-15-18(3)13(19)11-10(14(20)21-4)8-9(2)17-12(11)22-15/h8H,5-7H2,1-4H3
InChIKey
AAFLKQBYDFJETM-UHFFFAOYSA-N
Compound name
methyl 2-butylimino-3,7-dimethyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

321.11472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 174.7
[M+Na]+ 344.10394 187.7
[M+NH4]+ 339.14854 180.9
[M+K]+ 360.07788 179.2
[M-H]- 320.10744 176.0
[M+Na-2H]- 342.08939 178.7
[M]+ 321.11417 177.3
[M]- 321.11527 177.3
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.