CID 210363

21224-64-6

Structural Information

Molecular Formula
C18H29NO3S2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C18H29NO3S2/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/h9-12,17,19H,1-8,13-15H2,(H,20,21,22)
InChIKey
KJKOGRUOYYJJCE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[4-(2-sulfosulfanylethylamino)butyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15887 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16615 183.3
[M+Na]+ 394.14809 191.0
[M+NH4]+ 389.19269 190.1
[M+K]+ 410.12203 181.0
[M-H]- 370.15159 185.9
[M+Na-2H]- 392.13354 187.6
[M]+ 371.15832 185.9
[M]- 371.15942 185.9
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.