CID 41382

N-(dimethylaminosulfenyl)carbofuran

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(C)C)C
InChI
InChI=1S/C14H20N2O3S/c1-14(2)9-10-7-6-8-11(12(10)19-14)18-13(17)16(5)20-15(3)4/h6-8H,9H2,1-5H3
InChIKey
XUAAXZOIOGLBDP-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dimethylaminosulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

296.11948 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.126756 167.8
[M+Na]+ 319.108698 174.6
[M-H]- 295.112204 175.7
[M+NH4]+ 314.153303 188.1
[M+K]+ 335.082638 175.8
[M+H-H2O]+ 279.116740 162.1
[M+HCOO]- 341.117681 186.4
[M+CH3COO]- 355.133331 211.1
[M+Na-2H]- 317.094146 170.2
[M]+ 296.11893142 175.5
[M]- 296.12002858 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