CID 3084444

Suloxifen

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2OS/c1-3-20(4-2)16-15-19-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
HSOWGTFAGFRXKH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

316.16095 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 175.5
[M+Na]+ 339.15017 180.5
[M-H]- 315.15367 184.0
[M+NH4]+ 334.19477 190.8
[M+K]+ 355.12411 176.4
[M+H-H2O]+ 299.15821 166.5
[M+HCOO]- 361.15915 196.3
[M+CH3COO]- 375.17480 213.6
[M+Na-2H]- 337.13562 179.9
[M]+ 316.16040 179.2
[M]- 316.16150 179.2
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.