CID 24212666

853316-69-5

Structural Information

Molecular Formula
C22H24Cl2N2O2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=NC=C4Cl)Cl)C(=O)C1)C
InChI
InChI=1S/C22H24Cl2N2O2/c1-21(2)5-13-18(15(27)7-21)20(17-11(23)9-25-10-12(17)24)19-14(26-13)6-22(3,4)8-16(19)28/h9-10,20,26H,5-8H2,1-4H3
InChIKey
WBGNMIDZSHINEH-UHFFFAOYSA-N
Compound name
9-(3,5-dichloropyridin-4-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1215 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12878 195.9
[M+Na]+ 441.11072 206.9
[M-H]- 417.11422 199.4
[M+NH4]+ 436.15532 210.8
[M+K]+ 457.08466 198.5
[M+H-H2O]+ 401.11876 187.5
[M+HCOO]- 463.11970 196.7
[M+CH3COO]- 477.13535 204.2
[M+Na-2H]- 439.09617 195.8
[M]+ 418.12095 195.9
[M]- 418.12205 195.9
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.