CID 206577

Benzamide, 3,3'-methylenedioxybis(6-(phenylthio)ethoxy-

Structural Information

Molecular Formula
C31H30N2O6S2
SMILES
C1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)OCOC3=CC(=C(C=C3)OCCSC4=CC=CC=C4)C(=O)N)C(=O)N
InChI
InChI=1S/C31H30N2O6S2/c32-30(34)26-19-22(11-13-28(26)36-15-17-40-24-7-3-1-4-8-24)38-21-39-23-12-14-29(27(20-23)31(33)35)37-16-18-41-25-9-5-2-6-10-25/h1-14,19-20H,15-18,21H2,(H2,32,34)(H2,33,35)
InChIKey
FQZBVNRQWPLALV-UHFFFAOYSA-N
Compound name
5-[[3-carbamoyl-4-(2-phenylsulfanylethoxy)phenoxy]methoxy]-2-(2-phenylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.15454 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.16182 232.8
[M+Na]+ 613.14376 244.1
[M+NH4]+ 608.18836 237.7
[M+K]+ 629.11770 233.1
[M-H]- 589.14726 240.4
[M+Na-2H]- 611.12921 242.2
[M]+ 590.15399 237.4
[M]- 590.15509 237.4
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.