CID 3067972

82560-45-0

Structural Information

Molecular Formula
C19H28N2O5S
SMILES
CCOC(=O)CN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C19H28N2O5S/c1-7-24-16(22)12-21(13(2)3)27-20(6)18(23)25-15-10-8-9-14-11-19(4,5)26-17(14)15/h8-10,13H,7,11-12H2,1-6H3
InChIKey
HTIIJEKEUFSZFC-UHFFFAOYSA-N
Compound name
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1719 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17918 193.5
[M+Na]+ 419.16112 199.1
[M+NH4]+ 414.20572 200.0
[M+K]+ 435.13506 194.6
[M-H]- 395.16462 195.1
[M+Na-2H]- 417.14657 195.4
[M]+ 396.17135 195.0
[M]- 396.17245 195.0
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

No patent data available for this compound.