CID 154700115

Ns00117824

Structural Information

Molecular Formula
C20H32N2O4S
SMILES
CCCCN(CCCC)S(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C20H32N2O4S/c1-6-8-13-22(14-9-7-2)27(24)21(5)19(23)25-17-12-10-11-16-15-20(3,4)26-18(16)17/h10-12H,6-9,13-15H2,1-5H3
InChIKey
YNQSDWJJQZKEPB-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dibutylsulfinamoyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.20828 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21556 195.8
[M+Na]+ 419.19750 202.1
[M+NH4]+ 414.24210 202.9
[M+K]+ 435.17144 195.9
[M-H]- 395.20100 198.2
[M+Na-2H]- 417.18295 198.1
[M]+ 396.20773 197.7
[M]- 396.20883 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.