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

3
Patents

317.1562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16348 175.0
[M+Na]+ 340.14542 180.4
[M-H]- 316.14892 182.3
[M+NH4]+ 335.19002 189.0
[M+K]+ 356.11936 176.4
[M+H-H2O]+ 300.15346 165.3
[M+HCOO]- 362.15440 194.9
[M+CH3COO]- 376.17005 213.2
[M+Na-2H]- 338.13087 180.1
[M]+ 317.15565 178.8
[M]- 317.15675 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