CID 2803605

Cds1_000411

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₂S

SMILES

COCCCNC1=C(C(=O)NC(S1)C2CCC=CC2)C#N

InChI

InChI=1S/C15H21N3O2S/c1-20-9-5-8-17-15-12(10-16)13(19)18-14(21-15)11-6-3-2-4-7-11/h2-3,11,14,17H,4-9H2,1H3,(H,18,19)

InChIKey

FYMAMLRHQSQGIK-UHFFFAOYSA-N

Compound name

2-cyclohex-3-en-1-yl-6-(3-methoxypropylamino)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 307.13544 Da
Monoisotopic Mass: 2.9
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]+	308.142716	171.1
[M+Na]+	330.124658	177.5
[M-H]-	306.128164	173.5
[M+NH4]+	325.169263	182.8
[M+K]+	346.098598	172.1
[M+H-H2O]+	290.132700	157.1
[M+HCOO]-	352.133641	180.4
[M+CH3COO]-	366.149291	213.1
[M+Na-2H]-	328.110106	170.5
[M]+	307.13489142	163.7
[M]-	307.13598858	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.