CID 45051068

853317-50-7

Structural Information

Molecular Formula
C24H16N2O2
SMILES
CC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4)C5=C(C=CC=N5)C=C3
InChI
InChI=1S/C24H16N2O2/c1-15(27)19-14-21(24(28)18-6-3-2-4-7-18)26-20(19)12-11-17-10-9-16-8-5-13-25-22(16)23(17)26/h2-14H,1H3
InChIKey
KYELJBFXWUFMLI-UHFFFAOYSA-N
Compound name
1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1212 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12848 188.0
[M+Na]+ 387.11042 198.8
[M-H]- 363.11392 195.8
[M+NH4]+ 382.15502 201.9
[M+K]+ 403.08436 191.3
[M+H-H2O]+ 347.11846 177.6
[M+HCOO]- 409.11940 207.1
[M+CH3COO]- 423.13505 198.8
[M+Na-2H]- 385.09587 192.9
[M]+ 364.12065 192.4
[M]- 364.12175 192.4
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.