CID 16077302

Chembl215337

Structural Information

Molecular Formula
C19H17NS
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)SC4=CC=CC=C4
InChI
InChI=1S/C19H17NS/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-4,6,8-10,12H,5,7,11,13H2
InChIKey
RQQRPKRLZUSLDL-UHFFFAOYSA-N
Compound name
9-phenylsulfanyl-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.1082 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11548 163.6
[M+Na]+ 314.09742 171.2
[M-H]- 290.10092 169.9
[M+NH4]+ 309.14202 180.1
[M+K]+ 330.07136 164.4
[M+H-H2O]+ 274.10546 154.9
[M+HCOO]- 336.10640 177.0
[M+CH3COO]- 350.12205 174.4
[M+Na-2H]- 312.08287 169.4
[M]+ 291.10765 162.6
[M]- 291.10875 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.