CID 55517

86627-65-8

Structural Information

Molecular Formula
C18H27NO4S
SMILES
CCCCCCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H27NO4S/c1-5-6-7-8-12-21-24-19(4)17(20)22-15-11-9-10-14-13-18(2,3)23-16(14)15/h9-11H,5-8,12-13H2,1-4H3
InChIKey
ONWOGABUZHEAKN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-hexoxysulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.16608 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17336 184.9
[M+Na]+ 376.15530 190.6
[M-H]- 352.15880 190.6
[M+NH4]+ 371.19990 202.6
[M+K]+ 392.12924 190.1
[M+H-H2O]+ 336.16334 179.0
[M+HCOO]- 398.16428 201.1
[M+CH3COO]- 412.17993 216.6
[M+Na-2H]- 374.14075 185.6
[M]+ 353.16553 195.0
[M]- 353.16663 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

patents stripe