CID 210294

Brn 2995409

Structural Information

Molecular Formula
C18H35NO3S2
SMILES
C1CCC(CC1)C2CCC(CC2)CCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C18H35NO3S2/c20-24(21,22)23-15-14-19-13-5-4-6-16-9-11-18(12-10-16)17-7-2-1-3-8-17/h16-19H,1-15H2,(H,20,21,22)
InChIKey
QZNYWWZOQIXNMX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.20584 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21312 187.1
[M+Na]+ 400.19506 185.8
[M-H]- 376.19856 188.1
[M+NH4]+ 395.23966 197.8
[M+K]+ 416.16900 179.9
[M+H-H2O]+ 360.20310 179.6
[M+HCOO]- 422.20404 189.9
[M+CH3COO]- 436.21969 212.8
[M+Na-2H]- 398.18051 184.6
[M]+ 377.20529 182.6
[M]- 377.20639 182.6
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.