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 184.2
[M+Na]+ 395.12945 182.6
[M-H]- 371.13295 181.4
[M+NH4]+ 390.17405 193.7
[M+K]+ 411.10339 176.4
[M+H-H2O]+ 355.13749 174.1
[M+HCOO]- 417.13843 196.0
[M+CH3COO]- 431.15408 228.1
[M+Na-2H]- 393.11490 181.9
[M]+ 372.13968 181.0
[M]- 372.14078 181.0
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.