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]+ 514.19278 220.2
[M+Na]+ 536.17472 221.6
[M-H]- 512.17822 224.1
[M+NH4]+ 531.21932 225.9
[M+K]+ 552.14866 217.1
[M+H-H2O]+ 496.18276 209.9
[M+HCOO]- 558.18370 230.6
[M+CH3COO]- 572.19935 240.0
[M+Na-2H]- 534.16017 220.1
[M]+ 513.18495 232.3
[M]- 513.18605 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.