CID 72748

73909-11-2

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)OC)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2O2S/c1-4-22(5-2)13-12-21-15-10-11-16(24-3)20-18(15)19(23)14-8-6-7-9-17(14)25-20/h6-11,21H,4-5,12-13H2,1-3H3
InChIKey
FMJDWWAXDFAUJH-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylamino]-4-methoxythioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.15585 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16313 181.6
[M+Na]+ 379.14507 189.9
[M-H]- 355.14857 188.3
[M+NH4]+ 374.18967 197.6
[M+K]+ 395.11901 185.0
[M+H-H2O]+ 339.15311 173.2
[M+HCOO]- 401.15405 201.2
[M+CH3COO]- 415.16970 224.0
[M+Na-2H]- 377.13052 186.7
[M]+ 356.15530 190.0
[M]- 356.15640 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.