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 183.6
[M+Na]+ 382.10836 191.1
[M-H]- 358.11186 193.5
[M+NH4]+ 377.15296 200.8
[M+K]+ 398.08230 190.2
[M+H-H2O]+ 342.11640 177.3
[M+HCOO]- 404.11734 200.2
[M+CH3COO]- 418.13299 217.0
[M+Na-2H]- 380.09381 184.3
[M]+ 359.11859 190.7
[M]- 359.11969 190.7
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.