CID 3066093

109493-45-0

Structural Information

Molecular Formula
C17H13N3O4S
SMILES
CC1=CC(=C2C(=N1)SC(=N)N(C2=O)C(=O)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C17H13N3O4S/c1-9-8-11(16(23)24-2)12-13(19-9)25-17(18)20(15(12)22)14(21)10-6-4-3-5-7-10/h3-8,18H,1-2H3
InChIKey
NVKUTTODJRFHCM-UHFFFAOYSA-N
Compound name
methyl 3-benzoyl-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06268 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06996 178.9
[M+Na]+ 378.05190 189.2
[M-H]- 354.05540 184.9
[M+NH4]+ 373.09650 190.4
[M+K]+ 394.02584 183.8
[M+H-H2O]+ 338.05994 170.0
[M+HCOO]- 400.06088 194.6
[M+CH3COO]- 414.07653 214.8
[M+Na-2H]- 376.03735 181.4
[M]+ 355.06213 183.8
[M]- 355.06323 183.8
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.