CID 207249

9-thioxanthenone, 3-methoxy-4-(diethylaminomethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CCN(CC)CC1=C(C=CC2=C1SC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H21NO2S/c1-4-20(5-2)12-15-16(22-3)11-10-14-18(21)13-8-6-7-9-17(13)23-19(14)15/h6-11H,4-5,12H2,1-3H3
InChIKey
WBIBZHJSOSLORW-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)-3-methoxythioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.1293 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 174.0
[M+Na]+ 350.11852 183.7
[M-H]- 326.12202 181.2
[M+NH4]+ 345.16312 191.7
[M+K]+ 366.09246 179.1
[M+H-H2O]+ 310.12656 166.2
[M+HCOO]- 372.12750 193.0
[M+CH3COO]- 386.14315 216.0
[M+Na-2H]- 348.10397 178.8
[M]+ 327.12875 182.8
[M]- 327.12985 182.8
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