CID 42108

57020-68-5

Structural Information

Molecular Formula
C19H21NO4S
SMILES
CC1=CC=CC=C1S(=O)N(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C19H21NO4S/c1-13-8-5-6-11-16(13)25(22)20(4)18(21)23-15-10-7-9-14-12-19(2,3)24-17(14)15/h5-11H,12H2,1-4H3
InChIKey
AFBAXZLOODFKMU-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-methylphenyl)sulfinylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11914 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12642 181.5
[M+Na]+ 382.10836 192.7
[M+NH4]+ 377.15296 190.4
[M+K]+ 398.08230 185.5
[M-H]- 358.11186 186.5
[M+Na-2H]- 380.09381 188.0
[M]+ 359.11859 185.1
[M]- 359.11969 185.1
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.