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 176.0
[M+Na]+ 369.12772 176.5
[M-H]- 345.13122 167.0
[M+NH4]+ 364.17232 198.5
[M+K]+ 385.10166 174.1
[M+H-H2O]+ 329.13576 172.4
[M+HCOO]- 391.13670 171.3
[M+CH3COO]- 405.15235 217.0
[M+Na-2H]- 367.11317 190.3
[M]+ 346.13795 181.2
[M]- 346.13905 181.2
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.