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

0
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]+ 322.121996 172.1
[M+Na]+ 344.103938 182.7
[M-H]- 320.107444 176.1
[M+NH4]+ 339.148543 186.7
[M+K]+ 360.077878 178.5
[M+H-H2O]+ 304.111980 163.9
[M+HCOO]- 366.112921 189.2
[M+CH3COO]- 380.128571 212.6
[M+Na-2H]- 342.089386 174.1
[M]+ 321.11417142 180.6
[M]- 321.11526858 180.6
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.