CID 43581088

2763756-24-5

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂S

SMILES

C1CS(=O)(=O)CCN1C2=NC=C(C=C2)CN

InChI

InChI=1S/C10H15N3O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7,11H2

InChIKey

ZWWRDBPDHAYUSU-UHFFFAOYSA-N

Compound name

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 241.0885 Da
Monoisotopic Mass: -0.7
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]+	242.095776	150.4
[M+Na]+	264.077718	158.3
[M-H]-	240.081224	153.8
[M+NH4]+	259.122323	167.1
[M+K]+	280.051658	154.3
[M+H-H2O]+	224.085760	142.8
[M+HCOO]-	286.086701	165.3
[M+CH3COO]-	300.102351	188.9
[M+Na-2H]-	262.063166	154.1
[M]+	241.08795142	148.0
[M]-	241.08904858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe