CID 3060803

9-(1-(diethylamino)-2-propyl)thioxanthen-9-ol hydrochloride

Structural Information

Molecular Formula
C20H25NOS
SMILES
CCN(CC)CC(C)C1(C2=CC=CC=C2SC3=CC=CC=C31)O
InChI
InChI=1S/C20H25NOS/c1-4-21(5-2)14-15(3)20(22)16-10-6-8-12-18(16)23-19-13-9-7-11-17(19)20/h6-13,15,22H,4-5,14H2,1-3H3
InChIKey
ZHTDCWQDUBJBJM-UHFFFAOYSA-N
Compound name
9-[1-(diethylamino)propan-2-yl]thioxanthen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16568 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.172956 176.2
[M+Na]+ 350.154898 181.8
[M-H]- 326.158404 180.4
[M+NH4]+ 345.199503 194.4
[M+K]+ 366.128838 177.2
[M+H-H2O]+ 310.162940 169.0
[M+HCOO]- 372.163881 189.1
[M+CH3COO]- 386.179531 213.7
[M+Na-2H]- 348.140346 179.8
[M]+ 327.16513142 179.0
[M]- 327.16622858 179.0
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.