CID 3067959

82560-30-3

Structural Information

Molecular Formula
C20H30N2O5S
SMILES
CCCCN(CC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C20H30N2O5S/c1-6-8-12-22(14-17(23)25-7-2)28-21(5)19(24)26-16-11-9-10-15-13-20(3,4)27-18(15)16/h9-11H,6-8,12-14H2,1-5H3
InChIKey
QWRVJWCQFMKOOV-UHFFFAOYSA-N
Compound name
ethyl 2-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.18753 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19481 198.3
[M+Na]+ 433.17675 204.1
[M+NH4]+ 428.22135 204.8
[M+K]+ 449.15069 198.5
[M-H]- 409.18025 200.1
[M+Na-2H]- 431.16220 200.3
[M]+ 410.18698 199.9
[M]- 410.18808 199.9
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