CID 64345

Brn 3992068

Structural Information

Molecular Formula
C15H26N2O3S2
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSS(=O)(=O)O)N)C
InChI
InChI=1S/C15H26N2O3S2/c1-13-3-11-4-14(2,7-13)9-15(5-11,8-13)10-17-12(16)6-21-22(18,19)20/h11H,3-10H2,1-2H3,(H2,16,17)(H,18,19,20)
InChIKey
SQMLXMDRLSPKTA-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3,5-dimethyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14578 172.9
[M+Na]+ 369.12772 176.0
[M+NH4]+ 364.17232 185.2
[M+K]+ 385.10166 163.0
[M-H]- 345.13122 168.4
[M+Na-2H]- 367.11317 172.5
[M]+ 346.13795 173.2
[M]- 346.13905 173.2
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.