CID 47763

65907-34-8

Structural Information

Molecular Formula
C24H38N2O5S
SMILES
CCCCCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C24H38N2O5S/c1-6-7-8-9-10-11-12-13-17-29-22(27)25(4)32-26(5)23(28)30-20-16-14-15-19-18-24(2,3)31-21(19)20/h14-16H,6-13,17-18H2,1-5H3
InChIKey
WNCPOWPYTUXTES-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[decoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.25015 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.25743 218.2
[M+Na]+ 489.23937 220.0
[M-H]- 465.24287 223.9
[M+NH4]+ 484.28397 231.1
[M+K]+ 505.21331 220.3
[M+H-H2O]+ 449.24741 210.9
[M+HCOO]- 511.24835 232.9
[M+CH3COO]- 525.26400 243.2
[M+Na-2H]- 487.22482 215.4
[M]+ 466.24960 230.6
[M]- 466.25070 230.6
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.