CID 3067960

82560-31-4

Structural Information

Molecular Formula
C22H26N2O5S
SMILES
CCOC(=O)CN(C1=CC=CC=C1)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C22H26N2O5S/c1-5-27-19(25)15-24(17-11-7-6-8-12-17)30-23(4)21(26)28-18-13-9-10-16-14-22(2,3)29-20(16)18/h6-13H,5,14-15H2,1-4H3
InChIKey
ZBOAMQOYOPEPLX-UHFFFAOYSA-N
Compound name
ethyl 2-(N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.15625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16353 200.0
[M+Na]+ 453.14547 208.5
[M+NH4]+ 448.19007 207.5
[M+K]+ 469.11941 202.0
[M-H]- 429.14897 204.8
[M+Na-2H]- 451.13092 205.8
[M]+ 430.15570 203.0
[M]- 430.15680 203.0
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

patents stripe