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 157.5
[M+Na]+ 281.08652 160.0
[M-H]- 257.09002 156.0
[M+NH4]+ 276.13112 173.1
[M+K]+ 297.06046 153.6
[M+H-H2O]+ 241.09456 149.5
[M+HCOO]- 303.09550 170.2
[M+CH3COO]- 317.11115 202.8
[M+Na-2H]- 279.07197 156.6
[M]+ 258.09675 154.8
[M]- 258.09785 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.