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]+ 446.232576 210.2
[M+Na]+ 468.214518 218.6
[M-H]- 444.218024 219.6
[M+NH4]+ 463.259123 223.9
[M+K]+ 484.188458 213.1
[M+H-H2O]+ 428.222560 200.4
[M+HCOO]- 490.223501 221.0
[M+CH3COO]- 504.239151 218.6
[M+Na-2H]- 466.199966 208.1
[M]+ 445.22475142 209.9
[M]- 445.22584858 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.