CID 24212524

853311-28-1

Structural Information

Molecular Formula
C28H31NO4
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=CC=C(C=C5)OC)C(=O)C1)C
InChI
InChI=1S/C28H31NO4/c1-27(2)12-18-24(20(30)14-27)26(25-19(29-18)13-28(3,4)15-21(25)31)23-11-10-22(33-23)16-6-8-17(32-5)9-7-16/h6-11,26,29H,12-15H2,1-5H3
InChIKey
GRWCASRCDQYMNO-UHFFFAOYSA-N
Compound name
9-[5-(4-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

445.2253 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.23258 210.2
[M+Na]+ 468.21452 218.6
[M-H]- 444.21802 219.6
[M+NH4]+ 463.25912 223.9
[M+K]+ 484.18846 213.1
[M+H-H2O]+ 428.22256 200.4
[M+HCOO]- 490.22350 221.0
[M+CH3COO]- 504.23915 218.6
[M+Na-2H]- 466.19997 208.1
[M]+ 445.22475 209.9
[M]- 445.22585 209.9
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.