CID 3032288

Methallatal

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CCC1(C(=O)NC(=S)NC1=O)CC(=C)C

InChI

InChI=1S/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15)

InChIKey

XMQICEWOKPEQRG-UHFFFAOYSA-N

Compound name

5-ethyl-5-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2223
Patents: 226.0776 Da
Monoisotopic Mass: 2.2
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]+	227.08488	153.5
[M+Na]+	249.06682	162.3
[M+NH4]+	244.11142	160.2
[M+K]+	265.04076	154.1
[M-H]-	225.07032	151.5
[M+Na-2H]-	247.05227	155.5
[M]+	226.07705	154.3
[M]-	226.07815	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe