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 197.7
[M+Na]+ 419.19750 201.5
[M-H]- 395.20100 204.3
[M+NH4]+ 414.24210 213.6
[M+K]+ 435.17144 201.9
[M+H-H2O]+ 379.20554 191.2
[M+HCOO]- 441.20648 213.6
[M+CH3COO]- 455.22213 231.0
[M+Na-2H]- 417.18295 196.4
[M]+ 396.20773 207.6
[M]- 396.20883 207.6
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.