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]+ 306.13968 172.7
[M+Na]+ 328.12162 178.0
[M-H]- 304.12512 180.9
[M+NH4]+ 323.16622 188.5
[M+K]+ 344.09556 176.1
[M+H-H2O]+ 288.12966 166.7
[M+HCOO]- 350.13060 194.2
[M+CH3COO]- 364.14625 208.2
[M+Na-2H]- 326.10707 172.8
[M]+ 305.13185 175.9
[M]- 305.13295 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.