CID 208152

31696-73-8

Structural Information

Molecular Formula
C18H19NO2S
SMILES
CN(C)CCCOC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H19NO2S/c1-19(2)10-5-11-21-13-8-9-17-15(12-13)18(20)14-6-3-4-7-16(14)22-17/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
LEWPUASUTBFCIV-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propoxy]thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.11365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 169.4
[M+Na]+ 336.10287 178.7
[M-H]- 312.10637 176.4
[M+NH4]+ 331.14747 187.3
[M+K]+ 352.07681 174.3
[M+H-H2O]+ 296.11091 161.6
[M+HCOO]- 358.11185 188.8
[M+CH3COO]- 372.12750 211.9
[M+Na-2H]- 334.08832 175.4
[M]+ 313.11310 177.4
[M]- 313.11420 177.4
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