CID 39692

N-(3-toluenesulfenyl)carbofuran

Structural Information

Molecular Formula
C19H21NO3S
SMILES
CC1=CC(=CC=C1)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C19H21NO3S/c1-13-7-5-9-15(11-13)24-20(4)18(21)22-16-10-6-8-14-12-19(2,3)23-17(14)16/h5-11H,12H2,1-4H3
InChIKey
IGASNWLZMMRZGJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(3-methylphenyl)sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 180.8
[M+Na]+ 366.11342 188.7
[M-H]- 342.11692 190.7
[M+NH4]+ 361.15802 198.9
[M+K]+ 382.08736 187.1
[M+H-H2O]+ 326.12146 174.3
[M+HCOO]- 388.12240 198.1
[M+CH3COO]- 402.13805 214.6
[M+Na-2H]- 364.09887 182.2
[M]+ 343.12365 187.7
[M]- 343.12475 187.7
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

patents stripe