CID 210307

21220-77-9

Structural Information

Molecular Formula
C18H29NO4S2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)OCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C18H29NO4S2/c20-25(21,22)24-15-13-19-12-4-5-14-23-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h8-11,16,19H,1-7,12-15H2,(H,20,21,22)
InChIKey
JJQPAXLGQXCSHZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16108 186.2
[M+Na]+ 410.14302 193.3
[M+NH4]+ 405.18762 192.4
[M+K]+ 426.11696 183.9
[M-H]- 386.14652 188.2
[M+Na-2H]- 408.12847 190.1
[M]+ 387.15325 188.5
[M]- 387.15435 188.5
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.