CID 55527

86627-78-3

Structural Information

Molecular Formula
C22H35NO4S
SMILES
CCCCCCCCCCOSCNC(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C22H35NO4S/c1-4-5-6-7-8-9-10-11-15-25-28-17-23-21(24)26-19-14-12-13-18-16-22(2,3)27-20(18)19/h12-14H,4-11,15-17H2,1-3H3,(H,23,24)
InChIKey
UMPKLLKKQXPEGT-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(decoxysulfanylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

409.22867 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.23595 201.5
[M+Na]+ 432.21789 205.2
[M-H]- 408.22139 204.8
[M+NH4]+ 427.26249 216.1
[M+K]+ 448.19183 202.4
[M+H-H2O]+ 392.22593 194.8
[M+HCOO]- 454.22687 215.8
[M+CH3COO]- 468.24252 225.0
[M+Na-2H]- 430.20334 201.0
[M]+ 409.22812 211.6
[M]- 409.22922 211.6
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

patents stripe