CID 39770

N-(2-toluenesulfenyl)carbofuran

Structural Information

Molecular Formula
C19H21NO3S
SMILES
CC1=CC=CC=C1SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C19H21NO3S/c1-13-8-5-6-11-16(13)24-20(4)18(21)22-15-10-7-9-14-12-19(2,3)23-17(14)15/h5-11H,12H2,1-4H3
InChIKey
AMFABWAJFRPEFZ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-methylphenyl)sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.1242 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13148 179.2
[M+Na]+ 366.11342 191.3
[M+NH4]+ 361.15802 189.2
[M+K]+ 382.08736 182.8
[M-H]- 342.11692 185.3
[M+Na-2H]- 364.09887 186.5
[M]+ 343.12365 183.4
[M]- 343.12475 183.4
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

patents stripe