CID 3038372

Brn 1796017

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10458 159.9
[M+Na]+ 281.08652 163.2
[M+NH4]+ 276.13112 165.4
[M+K]+ 297.06046 154.9
[M-H]- 257.09002 159.9
[M+Na-2H]- 279.07197 160.1
[M]+ 258.09675 160.5
[M]- 258.09785 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.