CID 3044308

N-(2-toluenesulfonyl)carbofuran

Structural Information

Molecular Formula
C19H21NO5S
SMILES
CC1=CC=CC=C1S(=O)(=O)N(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C19H21NO5S/c1-13-8-5-6-11-16(13)26(22,23)20(4)18(21)24-15-10-7-9-14-12-19(2,3)25-17(14)15/h5-11H,12H2,1-4H3
InChIKey
FJPQJJQKZXSOIR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11404 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12132 185.8
[M+Na]+ 398.10326 194.0
[M-H]- 374.10676 195.9
[M+NH4]+ 393.14786 202.3
[M+K]+ 414.07720 193.2
[M+H-H2O]+ 358.11130 180.0
[M+HCOO]- 420.11224 202.3
[M+CH3COO]- 434.12789 218.0
[M+Na-2H]- 396.08871 189.3
[M]+ 375.11349 193.8
[M]- 375.11459 193.8
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.