CID 379951

Nsc665143

Structural Information

Molecular Formula
C25H23NO2
SMILES
C1CC2=C(CC3=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)CCCC3=O)C(=O)C1
InChI
InChI=1S/C25H23NO2/c27-24-10-4-8-22-20(24)16-21-23(9-5-11-25(21)28)26(22)19-14-12-18(13-15-19)17-6-2-1-3-7-17/h1-3,6-7,12-15H,4-5,8-11,16H2
InChIKey
YMJVDQPVOFGMSI-UHFFFAOYSA-N
Compound name
10-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18016 190.4
[M+Na]+ 392.16210 195.5
[M-H]- 368.16560 198.7
[M+NH4]+ 387.20670 201.9
[M+K]+ 408.13604 188.1
[M+H-H2O]+ 352.17014 178.3
[M+HCOO]- 414.17108 203.3
[M+CH3COO]- 428.18673 198.4
[M+Na-2H]- 390.14755 191.8
[M]+ 369.17233 183.9
[M]- 369.17343 183.9
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.