CID 24212601

853314-18-8

Structural Information

Molecular Formula
C28H30ClNO4
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=C(C=CC(=C5)Cl)OC)C(=O)C1)C
InChI
InChI=1S/C28H30ClNO4/c1-27(2)11-17-24(19(31)13-27)26(25-18(30-17)12-28(3,4)14-20(25)32)23-9-8-22(34-23)16-10-15(29)6-7-21(16)33-5/h6-10,26,30H,11-14H2,1-5H3
InChIKey
DGOFKEJVDJIDOV-UHFFFAOYSA-N
Compound name
9-[5-(5-chloro-2-methoxyphenyl)furan-2-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

479.18634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19362 214.4
[M+Na]+ 502.17556 229.6
[M+NH4]+ 497.22016 224.8
[M+K]+ 518.14950 218.9
[M-H]- 478.17906 221.4
[M+Na-2H]- 500.16101 220.4
[M]+ 479.18579 219.3
[M]- 479.18689 219.3
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.