CID 210311

21220-83-7

Structural Information

Molecular Formula
C24H35NO7S2
SMILES
COC1=CC=C(C=C1)OCCCCN(CCCCOC2=CC=C(C=C2)OC)CCSS(=O)(=O)O
InChI
InChI=1S/C24H35NO7S2/c1-29-21-7-11-23(12-8-21)31-18-5-3-15-25(17-20-33-34(26,27)28)16-4-6-19-32-24-13-9-22(30-2)10-14-24/h7-14H,3-6,15-20H2,1-2H3,(H,26,27,28)
InChIKey
UNQUFOFUZSLDCK-UHFFFAOYSA-N
Compound name
1-methoxy-4-[4-[4-(4-methoxyphenoxy)butyl-(2-sulfosulfanylethyl)amino]butoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.1855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.192776 220.2
[M+Na]+ 536.174718 221.6
[M-H]- 512.178224 224.1
[M+NH4]+ 531.219323 225.9
[M+K]+ 552.148658 217.1
[M+H-H2O]+ 496.182760 209.9
[M+HCOO]- 558.183701 230.6
[M+CH3COO]- 572.199351 240.0
[M+Na-2H]- 534.160166 220.1
[M]+ 513.18495142 232.3
[M]- 513.18604858 232.3
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.