CID 210309

21220-80-4

Structural Information

Molecular Formula
C22H31NO7S2
SMILES
C1=CC=C(C=C1)OCCOCCN(CCOCCOC2=CC=CC=C2)CCSS(=O)(=O)O
InChI
InChI=1S/C22H31NO7S2/c24-32(25,26)31-20-13-23(11-14-27-16-18-29-21-7-3-1-4-8-21)12-15-28-17-19-30-22-9-5-2-6-10-22/h1-10H,11-20H2,(H,24,25,26)
InChIKey
KZKJSZCJCIMHMO-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-phenoxyethoxy)ethyl-(2-sulfosulfanylethyl)amino]ethoxy]ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1542 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.16148 211.9
[M+Na]+ 508.14342 212.8
[M-H]- 484.14692 215.5
[M+NH4]+ 503.18802 218.3
[M+K]+ 524.11736 208.5
[M+H-H2O]+ 468.15146 201.7
[M+HCOO]- 530.15240 223.1
[M+CH3COO]- 544.16805 231.9
[M+Na-2H]- 506.12887 213.9
[M]+ 485.15365 222.5
[M]- 485.15475 222.5
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.