CID 4177908

2-benzyl-9-phenyl-2,3-dihydro-1h-benzo[f]isoindol-1-one

Structural Information

Molecular Formula
C25H19NO
SMILES
C1C2=CC3=CC=CC=C3C(=C2C(=O)N1CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H19NO/c27-25-24-21(17-26(25)16-18-9-3-1-4-10-18)15-20-13-7-8-14-22(20)23(24)19-11-5-2-6-12-19/h1-15H,16-17H2
InChIKey
KCIFSGTXEPAHQS-UHFFFAOYSA-N
Compound name
2-benzyl-4-phenyl-1H-benzo[f]isoindol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15395 185.7
[M+Na]+ 372.13589 194.1
[M-H]- 348.13939 195.7
[M+NH4]+ 367.18049 200.5
[M+K]+ 388.10983 185.8
[M+H-H2O]+ 332.14393 175.1
[M+HCOO]- 394.14487 205.1
[M+CH3COO]- 408.16052 196.1
[M+Na-2H]- 370.12134 188.6
[M]+ 349.14612 184.9
[M]- 349.14722 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.