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 236.5
[M+Na]+ 613.14376 237.8
[M-H]- 589.14726 245.3
[M+NH4]+ 608.18836 237.4
[M+K]+ 629.11770 231.1
[M+H-H2O]+ 573.15180 224.3
[M+HCOO]- 635.15274 247.2
[M+CH3COO]- 649.16839 257.0
[M+Na-2H]- 611.12921 234.8
[M]+ 590.15399 242.2
[M]- 590.15509 242.2
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.