CID 64545

2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl carbamimidothioate hydrobromide

Structural Information

Molecular Formula
C15H25N3OS
SMILES
C1C2CC3CC1CC(C2)(C3)CC(=O)NCCSC(=N)N
InChI
InChI=1S/C15H25N3OS/c16-14(17)20-2-1-18-13(19)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H3,16,17)(H,18,19)
InChIKey
PPHHHAFUPRZDAL-UHFFFAOYSA-N
Compound name
2-[[2-(1-adamantyl)acetyl]amino]ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17912 162.5
[M+Na]+ 318.16106 166.2
[M+NH4]+ 313.20566 173.3
[M+K]+ 334.13500 156.8
[M-H]- 294.16456 160.3
[M+Na-2H]- 316.14651 158.6
[M]+ 295.17129 162.5
[M]- 295.17239 162.5
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.