CID 3067978

82560-52-9

Structural Information

Molecular Formula
C23H28N2O5S
SMILES
CCOC(=O)CN(C1=CC=CC(=C1)C)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C23H28N2O5S/c1-6-28-20(26)15-25(18-11-7-9-16(2)13-18)31-24(5)22(27)29-19-12-8-10-17-14-23(3,4)30-21(17)19/h7-13H,6,14-15H2,1-5H3
InChIKey
MOZYTPCYPCADDL-UHFFFAOYSA-N
Compound name
ethyl 2-(N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-3-methylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1719 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17918 204.5
[M+Na]+ 467.16112 213.1
[M+NH4]+ 462.20572 211.7
[M+K]+ 483.13506 206.5
[M-H]- 443.16462 209.3
[M+Na-2H]- 465.14657 209.8
[M]+ 444.17135 207.5
[M]- 444.17245 207.5
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.