CID 3056939

Thioxanthen-9-one, 1-(2-butylaminoethylamino)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CCCCNCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2OS/c1-3-4-11-21-12-13-22-16-10-9-14(2)20-18(16)19(23)15-7-5-6-8-17(15)24-20/h5-10,21-22H,3-4,11-13H2,1-2H3
InChIKey
URZSVZDKINWEPW-UHFFFAOYSA-N
Compound name
1-[2-(butylamino)ethylamino]-4-methylthioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 178.9
[M+Na]+ 363.15017 193.4
[M+NH4]+ 358.19477 188.4
[M+K]+ 379.12411 181.4
[M-H]- 339.15367 184.6
[M+Na-2H]- 361.13562 186.2
[M]+ 340.16040 183.3
[M]- 340.16150 183.3
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.