CID 3086767

Brn 5625541

Structural Information

Molecular Formula
C14H24N6O2S2
SMILES
C=CCNC(=S)NCC(=O)NCCNC(=O)CNC(=S)NCC=C
InChI
InChI=1S/C14H24N6O2S2/c1-3-5-17-13(23)19-9-11(21)15-7-8-16-12(22)10-20-14(24)18-6-4-2/h3-4H,1-2,5-10H2,(H,15,21)(H,16,22)(H2,17,19,23)(H2,18,20,24)
InChIKey
UGJUXDJTGCBMHX-UHFFFAOYSA-N
Compound name
2-(prop-2-enylcarbamothioylamino)-N-[2-[[2-(prop-2-enylcarbamothioylamino)acetyl]amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14023 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14751 185.5
[M+Na]+ 395.12945 184.0
[M+NH4]+ 390.17405 187.4
[M+K]+ 411.10339 178.3
[M-H]- 371.13295 183.6
[M+Na-2H]- 393.11490 183.4
[M]+ 372.13968 184.3
[M]- 372.14078 184.3
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.