CID 206580

28173-79-7

Structural Information

Molecular Formula
C31H30N2O8S2
SMILES
C1=CC=C(C=C1)S(=O)CCOC2=C(C=C(C=C2)OCOC3=CC(=C(C=C3)OCCS(=O)C4=CC=CC=C4)C(=O)N)C(=O)N
InChI
InChI=1S/C31H30N2O8S2/c32-30(34)26-19-22(11-13-28(26)38-15-17-42(36)24-7-3-1-4-8-24)40-21-41-23-12-14-29(27(20-23)31(33)35)39-16-18-43(37)25-9-5-2-6-10-25/h1-14,19-20H,15-18,21H2,(H2,32,34)(H2,33,35)
InChIKey
GQRZELVDIMQGRL-UHFFFAOYSA-N
Compound name
2-[2-(benzenesulfinyl)ethoxy]-5-[[4-[2-(benzenesulfinyl)ethoxy]-3-carbamoylphenoxy]methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.14435 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.15163 234.3
[M+Na]+ 645.13357 243.8
[M+NH4]+ 640.17817 237.2
[M+K]+ 661.10751 235.5
[M-H]- 621.13707 240.0
[M+Na-2H]- 643.11902 242.6
[M]+ 622.14380 237.8
[M]- 622.14490 237.8
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.