CID 47762

65907-33-7

Structural Information

Molecular Formula
C22H34N2O5S
SMILES
CCCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C22H34N2O5S/c1-6-7-8-9-10-11-15-27-20(25)23(4)30-24(5)21(26)28-18-14-12-13-17-16-22(2,3)29-19(17)18/h12-14H,6-11,15-16H2,1-5H3
InChIKey
COTNOASXKYDSLH-UHFFFAOYSA-N
Compound name
octyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21884 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22612 209.3
[M+Na]+ 461.20806 212.1
[M-H]- 437.21156 215.5
[M+NH4]+ 456.25266 223.4
[M+K]+ 477.18200 212.8
[M+H-H2O]+ 421.21610 202.4
[M+HCOO]- 483.21704 224.8
[M+CH3COO]- 497.23269 237.5
[M+Na-2H]- 459.19351 207.5
[M]+ 438.21829 221.1
[M]- 438.21939 221.1
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.