CID 541749

4-(3-methylaminopropoxy)thioxanthone hydrochloride

Structural Information

Molecular Formula
C17H17NO2S
SMILES
CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H17NO2S/c1-18-10-5-11-20-14-8-4-7-13-16(19)12-6-2-3-9-15(12)21-17(13)14/h2-4,6-9,18H,5,10-11H2,1H3
InChIKey
HUMGXVYPFQHHLZ-UHFFFAOYSA-N
Compound name
4-[3-(methylamino)propoxy]thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.098 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10528 164.8
[M+Na]+ 322.08722 180.5
[M+NH4]+ 317.13182 174.8
[M+K]+ 338.06116 169.0
[M-H]- 298.09072 169.9
[M+Na-2H]- 320.07267 173.0
[M]+ 299.09745 169.2
[M]- 299.09855 169.2
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