CID 327409

80568-19-0

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CCN(CC)CCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)O
InChI
InChI=1S/C20H24N2O2S/c1-4-22(5-2)11-10-21-18-15(23)12-13(3)20-17(18)19(24)14-8-6-7-9-16(14)25-20/h6-9,12,21,23H,4-5,10-11H2,1-3H3
InChIKey
KAEPIGKWCOVABV-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylamino]-2-hydroxy-4-methylthioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 181.4
[M+Na]+ 379.14507 190.1
[M-H]- 355.14857 187.0
[M+NH4]+ 374.18967 197.0
[M+K]+ 395.11901 184.5
[M+H-H2O]+ 339.15311 173.6
[M+HCOO]- 401.15405 199.4
[M+CH3COO]- 415.16970 222.9
[M+Na-2H]- 377.13052 185.5
[M]+ 356.15530 188.4
[M]- 356.15640 188.4
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.