CID 24212571

853312-93-3

Structural Information

Molecular Formula
C29H33NO4
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)C3C4=C(CC(CC4=O)(C)C)NC5=C3C(=O)CC(C5)(C)C
InChI
InChI=1S/C29H33NO4/c1-6-33-22-10-8-7-9-17(22)23-11-12-24(34-23)27-25-18(13-28(2,3)15-20(25)31)30-19-14-29(4,5)16-21(32)26(19)27/h7-12,27,30H,6,13-16H2,1-5H3
InChIKey
XMTJQFQYGGIPGI-UHFFFAOYSA-N
Compound name
9-[5-(2-ethoxyphenyl)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

459.24097 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24825 214.6
[M+Na]+ 482.23019 222.4
[M-H]- 458.23369 223.7
[M+NH4]+ 477.27479 227.6
[M+K]+ 498.20413 216.8
[M+H-H2O]+ 442.23823 204.5
[M+HCOO]- 504.23917 224.9
[M+CH3COO]- 518.25482 222.5
[M+Na-2H]- 480.21564 211.9
[M]+ 459.24042 214.5
[M]- 459.24152 214.5
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.