CID 6410579

N-(2-(diethylamino)ethyl)-s-2-furanyl-s-phenylsulfoximine

Structural Information

Molecular Formula
C16H21N2O2S
SMILES
CCN(CC)CCN=[S-](=O)C1=CC=CC=C1C2=CC=CO2
InChI
InChI=1S/C16H21N2O2S/c1-3-18(4-2)12-11-17-21(19)16-10-6-5-8-14(16)15-9-7-13-20-15/h5-10,13H,3-4,11-12H2,1-2H3/q-1
InChIKey
YAUGZAJMOXQQPA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1324 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.139676 172.7
[M+Na]+ 328.121618 178.0
[M-H]- 304.125124 180.9
[M+NH4]+ 323.166223 188.5
[M+K]+ 344.095558 176.1
[M+H-H2O]+ 288.129660 166.7
[M+HCOO]- 350.130601 194.2
[M+CH3COO]- 364.146251 208.2
[M+Na-2H]- 326.107066 172.8
[M]+ 305.13185142 175.9
[M]- 305.13294858 175.9
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

No patent data available for this compound.