CID 983416

3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione

Structural Information

Molecular Formula
C26H33NO2
SMILES
CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
InChI
InChI=1S/C26H33NO2/c1-15(2)16-7-9-17(10-8-16)22-23-18(11-25(3,4)13-20(23)28)27-19-12-26(5,6)14-21(29)24(19)22/h7-10,15,22,27H,11-14H2,1-6H3
InChIKey
HRRRUWAOYPPPDF-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.258406 197.8
[M+Na]+ 414.240348 204.8
[M-H]- 390.243854 202.6
[M+NH4]+ 409.284953 213.5
[M+K]+ 430.214288 198.3
[M+H-H2O]+ 374.248390 188.6
[M+HCOO]- 436.249331 206.7
[M+CH3COO]- 450.264981 226.4
[M+Na-2H]- 412.225796 196.3
[M]+ 391.25058142 194.0
[M]- 391.25167858 194.0
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.