CID 210305

Brn 2168336

Structural Information

Molecular Formula
C15H25NO5S2
SMILES
CCCOC1=CC=C(C=C1)OCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H25NO5S2/c1-2-11-20-14-5-7-15(8-6-14)21-12-4-3-9-16-10-13-22-23(17,18)19/h5-8,16H,2-4,9-13H2,1H3,(H,17,18,19)
InChIKey
KLRVDGOIKWNGSC-UHFFFAOYSA-N
Compound name
1-propoxy-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12468 182.7
[M+Na]+ 386.10662 189.6
[M+NH4]+ 381.15122 187.6
[M+K]+ 402.08056 181.0
[M-H]- 362.11012 182.0
[M+Na-2H]- 384.09207 184.6
[M]+ 363.11685 184.1
[M]- 363.11795 184.1
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.