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]+ 357.16313 183.4
[M+Na]+ 379.14507 192.6
[M-H]- 355.14857 187.5
[M+NH4]+ 374.18967 201.8
[M+K]+ 395.11901 186.2
[M+H-H2O]+ 339.15311 176.5
[M+HCOO]- 401.15405 190.6
[M+CH3COO]- 415.16970 192.8
[M+Na-2H]- 377.13052 182.8
[M]+ 356.15530 182.4
[M]- 356.15640 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.