CID 24209015

853332-90-8

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=NC=CS4)C(=O)C1)C
InChI
InChI=1S/C20H24N2O2S/c1-19(2)7-11-15(13(23)9-19)17(18-21-5-6-25-18)16-12(22-11)8-20(3,4)10-14(16)24/h5-6,17,22H,7-10H2,1-4H3
InChIKey
JHZHNVKPRXSFNS-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-(1,3-thiazol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15585 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.163126 183.4
[M+Na]+ 379.145068 192.6
[M-H]- 355.148574 187.5
[M+NH4]+ 374.189673 201.8
[M+K]+ 395.119008 186.2
[M+H-H2O]+ 339.153110 176.5
[M+HCOO]- 401.154051 190.6
[M+CH3COO]- 415.169701 192.8
[M+Na-2H]- 377.130516 182.8
[M]+ 356.15530142 182.4
[M]- 356.15639858 182.4
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.