CID 3067846

82140-63-4

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃S

SMILES

CC1=CC(=C2C(=N1)SC(=NC)N(C2=O)C)C(=O)OC

InChI

InChI=1S/C12H13N3O3S/c1-6-5-7(11(17)18-4)8-9(14-6)19-12(13-2)15(3)10(8)16/h5H,1-4H3

InChIKey

AHYHDVDMIHICPV-UHFFFAOYSA-N

Compound name

methyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06775 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.075026	158.7
[M+Na]+	302.056968	170.7
[M-H]-	278.060474	163.3
[M+NH4]+	297.101573	175.0
[M+K]+	318.030908	167.1
[M+H-H2O]+	262.065010	151.2
[M+HCOO]-	324.065951	176.8
[M+CH3COO]-	338.081601	203.7
[M+Na-2H]-	300.042416	162.1
[M]+	279.06720142	166.2
[M]-	279.06829858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.