CID 214172

Thioxanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO2S
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2SC3=CC=CC=C13
InChI
InChI=1S/C20H23NO2S/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
ZQQYGCNLOAXLLW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9H-thioxanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15224 179.2
[M+Na]+ 364.13418 184.3
[M-H]- 340.13768 184.5
[M+NH4]+ 359.17878 195.3
[M+K]+ 380.10812 180.4
[M+H-H2O]+ 324.14222 171.1
[M+HCOO]- 386.14316 194.0
[M+CH3COO]- 400.15881 217.3
[M+Na-2H]- 362.11963 182.0
[M]+ 341.14441 184.0
[M]- 341.14551 184.0
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.