CID 3056941

Brn 0432495

Structural Information

Molecular Formula
C20H16N2OS
SMILES
CC1=C2C(=C(C=C1)NCC3=CC=CC=N3)C(=O)C4=CC=CC=C4S2
InChI
InChI=1S/C20H16N2OS/c1-13-9-10-16(22-12-14-6-4-5-11-21-14)18-19(23)15-7-2-3-8-17(15)24-20(13)18/h2-11,22H,12H2,1H3
InChIKey
QAPKNKJUALZUDF-UHFFFAOYSA-N
Compound name
4-methyl-1-(pyridin-2-ylmethylamino)thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09833 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10561 174.1
[M+Na]+ 355.08755 192.8
[M+NH4]+ 350.13215 184.6
[M+K]+ 371.06149 180.1
[M-H]- 331.09105 181.7
[M+Na-2H]- 353.07300 185.3
[M]+ 332.09778 179.9
[M]- 332.09888 179.9
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.