CID 3067749

81960-09-0

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₃S

SMILES

CCOC(=O)C1=C(N=C2C(=C1)C(=O)N(C(=NC)S2)C)C

InChI

InChI=1S/C13H15N3O3S/c1-5-19-12(18)8-6-9-10(15-7(8)2)20-13(14-3)16(4)11(9)17/h6H,5H2,1-4H3

InChIKey

LTAIIJFTURTKTG-UHFFFAOYSA-N

Compound name

ethyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0834 Da
Monoisotopic Mass: 1.8
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]+	294.090676	163.2
[M+Na]+	316.072618	174.7
[M-H]-	292.076124	167.6
[M+NH4]+	311.117223	178.9
[M+K]+	332.046558	170.9
[M+H-H2O]+	276.080660	155.5
[M+HCOO]-	338.081601	181.0
[M+CH3COO]-	352.097251	206.7
[M+Na-2H]-	314.058066	166.1
[M]+	293.08285142	171.0
[M]-	293.08394858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.