CID 3054388

N-(2-(diethylamino)ethyl)-s-phenyl-s-3-pyridinylsulfoximine

Structural Information

Molecular Formula
C17H23N3OS
SMILES
CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CN=CC=C2
InChI
InChI=1S/C17H23N3OS/c1-3-20(4-2)14-13-19-22(21,16-9-6-5-7-10-16)17-11-8-12-18-15-17/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey
GARDROZMOIDFRO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(oxo-phenyl-pyridin-3-yl-lambda6-sulfanylidene)amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

317.1562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.163476 175.0
[M+Na]+ 340.145418 180.4
[M-H]- 316.148924 182.3
[M+NH4]+ 335.190023 189.0
[M+K]+ 356.119358 176.4
[M+H-H2O]+ 300.153460 165.3
[M+HCOO]- 362.154401 194.9
[M+CH3COO]- 376.170051 213.2
[M+Na-2H]- 338.130866 180.1
[M]+ 317.15565142 178.8
[M]- 317.15674858 178.8
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