CID 55515

86627-63-6

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C14H19NO4S/c1-5-17-20-15(4)13(16)18-11-8-6-7-10-9-14(2,3)19-12(10)11/h6-8H,5,9H2,1-4H3
InChIKey
CTJNNPVEDDHSSW-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethoxysulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.1035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 166.7
[M+Na]+ 320.09272 174.2
[M-H]- 296.09622 173.3
[M+NH4]+ 315.13732 186.8
[M+K]+ 336.06666 174.6
[M+H-H2O]+ 280.10076 161.6
[M+HCOO]- 342.10170 184.3
[M+CH3COO]- 356.11735 204.8
[M+Na-2H]- 318.07817 169.4
[M]+ 297.10295 175.5
[M]- 297.10405 175.5
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