CID 3038372

Thiourea, n,n''-1,2-ethanediylbis(n'-2-propenyl-

Structural Information

Molecular Formula

C₁₀H₁₈N₄S₂

SMILES

C=CCNC(=S)NCCNC(=S)NCC=C

InChI

InChI=1S/C10H18N4S2/c1-3-5-11-9(15)13-7-8-14-10(16)12-6-4-2/h3-4H,1-2,5-8H2,(H2,11,13,15)(H2,12,14,16)

InChIKey

DZNRNWRYYIFSSG-UHFFFAOYSA-N

Compound name

1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0973 Da
Monoisotopic Mass: 1.0
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]+	259.104576	157.5
[M+Na]+	281.086518	160.0
[M-H]-	257.090024	156.0
[M+NH4]+	276.131123	173.1
[M+K]+	297.060458	153.6
[M+H-H2O]+	241.094560	149.5
[M+HCOO]-	303.095501	170.2
[M+CH3COO]-	317.111151	202.8
[M+Na-2H]-	279.071966	156.6
[M]+	258.09675142	154.8
[M]-	258.09784858	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.