CID 3070466

86503-26-6

Structural Information

Molecular Formula

C₈H₁₅N₃OS

SMILES

CN(C)CCCN1C(=O)CNC1=S

InChI

InChI=1S/C8H15N3OS/c1-10(2)4-3-5-11-7(12)6-9-8(11)13/h3-6H2,1-2H3,(H,9,13)

InChIKey

QCXFCDHVLOWDSH-UHFFFAOYSA-N

Compound name

3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.09358 Da
Monoisotopic Mass: 0.1
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]+	202.10086	145.3
[M+Na]+	224.08280	152.6
[M-H]-	200.08630	146.2
[M+NH4]+	219.12740	164.1
[M+K]+	240.05674	150.2
[M+H-H2O]+	184.09084	138.5
[M+HCOO]-	246.09178	160.7
[M+CH3COO]-	260.10743	186.5
[M+Na-2H]-	222.06825	144.1
[M]+	201.09303	145.4
[M]-	201.09413	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe