CID 64343

Brn 3992350

Structural Information

Molecular Formula
C15H26N2O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)CCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C15H26N2O3S2/c16-14(10-21-22(18,19)20)17-3-1-2-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2,(H2,16,17)(H,18,19,20)
InChIKey
LSCXOLOEXRAZJZ-UHFFFAOYSA-N
Compound name
1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14578 175.0
[M+Na]+ 369.12772 173.6
[M-H]- 345.13122 166.1
[M+NH4]+ 364.17232 194.0
[M+K]+ 385.10166 171.2
[M+H-H2O]+ 329.13576 171.3
[M+HCOO]- 391.13670 170.8
[M+CH3COO]- 405.15235 217.6
[M+Na-2H]- 367.11317 186.5
[M]+ 346.13795 179.2
[M]- 346.13905 179.2
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.