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]+ 328.17296 176.2
[M+Na]+ 350.15490 181.8
[M-H]- 326.15840 180.4
[M+NH4]+ 345.19950 194.4
[M+K]+ 366.12884 177.2
[M+H-H2O]+ 310.16294 169.0
[M+HCOO]- 372.16388 189.1
[M+CH3COO]- 386.17953 213.7
[M+Na-2H]- 348.14035 179.8
[M]+ 327.16513 179.0
[M]- 327.16623 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.