CID 3003782

Dalzin

Structural Information

Molecular Formula

C₈H₁₄N₄S₂

SMILES

C=CCNC(=S)NNC(=S)NCC=C

InChI

InChI=1S/C8H14N4S2/c1-3-5-9-7(13)11-12-8(14)10-6-4-2/h3-4H,1-2,5-6H2,(H2,9,11,13)(H2,10,12,14)

InChIKey

PUQQJCONDKZESZ-UHFFFAOYSA-N

Compound name

1-prop-2-enyl-3-(prop-2-enylcarbamothioylamino)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 230.066 Da
Monoisotopic Mass: 1.2
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]+	231.07328	149.9
[M+Na]+	253.05522	153.3
[M-H]-	229.05872	148.9
[M+NH4]+	248.09982	166.6
[M+K]+	269.02916	147.4
[M+H-H2O]+	213.06326	142.3
[M+HCOO]-	275.06420	163.2
[M+CH3COO]-	289.07985	196.2
[M+Na-2H]-	251.04067	149.8
[M]+	230.06545	146.4
[M]-	230.06655	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe