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

6
Patents

296.11948 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12676 167.8
[M+Na]+ 319.10870 174.6
[M-H]- 295.11220 175.7
[M+NH4]+ 314.15330 188.1
[M+K]+ 335.08264 175.8
[M+H-H2O]+ 279.11674 162.1
[M+HCOO]- 341.11768 186.4
[M+CH3COO]- 355.13333 211.1
[M+Na-2H]- 317.09415 170.2
[M]+ 296.11893 175.5
[M]- 296.12003 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