CID 210302

Wr 3343

Structural Information

Molecular Formula
C14H23NO4S2
SMILES
CC1=C(C=C(C=C1)OCCCCNCCSS(=O)(=O)O)C
InChI
InChI=1S/C14H23NO4S2/c1-12-5-6-14(11-13(12)2)19-9-4-3-7-15-8-10-20-21(16,17)18/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,16,17,18)
InChIKey
GSRBCJMGWZTHLA-UHFFFAOYSA-N
Compound name
1,2-dimethyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.10684 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11412 176.4
[M+Na]+ 356.09606 184.4
[M+NH4]+ 351.14066 182.2
[M+K]+ 372.07000 175.7
[M-H]- 332.09956 176.4
[M+Na-2H]- 354.08151 178.7
[M]+ 333.10629 178.3
[M]- 333.10739 178.3
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.