CID 212566

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

Structural Information

Molecular Formula
C21H26N2O6S2
SMILES
CSCCOC1=C(C=C(C=C1)OCOC2=CC(=C(C=C2)OCCSC)C(=O)N)C(=O)N
InChI
InChI=1S/C21H26N2O6S2/c1-30-9-7-26-18-5-3-14(11-16(18)20(22)24)28-13-29-15-4-6-19(27-8-10-31-2)17(12-15)21(23)25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,24)(H2,23,25)
InChIKey
VWNNBZQFFHIUPZ-UHFFFAOYSA-N
Compound name
5-[[3-carbamoyl-4-(2-methylsulfanylethoxy)phenoxy]methoxy]-2-(2-methylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.12323 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13051 206.0
[M+Na]+ 489.11245 209.0
[M-H]- 465.11595 209.7
[M+NH4]+ 484.15705 213.0
[M+K]+ 505.08639 203.7
[M+H-H2O]+ 449.12049 196.1
[M+HCOO]- 511.12143 216.9
[M+CH3COO]- 525.13708 236.6
[M+Na-2H]- 487.09790 202.5
[M]+ 466.12268 213.8
[M]- 466.12378 213.8
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.