CID 41383

N-(morpholinosulfenyl)carbofuran

Structural Information

Molecular Formula
C16H22N2O4S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN3CCOCC3)C
InChI
InChI=1S/C16H22N2O4S/c1-16(2)11-12-5-4-6-13(14(12)22-16)21-15(19)17(3)23-18-7-9-20-10-8-18/h4-6H,7-11H2,1-3H3
InChIKey
KISOXJQGSGASFJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.13004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13732 176.6
[M+Na]+ 361.11926 185.8
[M+NH4]+ 356.16386 185.3
[M+K]+ 377.09320 179.6
[M-H]- 337.12276 182.0
[M+Na-2H]- 359.10471 180.8
[M]+ 338.12949 179.9
[M]- 338.13059 179.9
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

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