CID 16728035

Chembl226259

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C20H14N2O2/c23-19(13-6-2-1-3-7-13)21-14-10-11-18-17(12-14)15-8-4-5-9-16(15)20(24)22-18/h1-12H,(H,21,23)(H,22,24)
InChIKey
HRGLGSFVRADZNM-UHFFFAOYSA-N
Compound name
N-(6-oxo-5H-phenanthridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 170.5
[M+Na]+ 337.09475 179.6
[M-H]- 313.09825 176.8
[M+NH4]+ 332.13935 184.3
[M+K]+ 353.06869 172.4
[M+H-H2O]+ 297.10279 161.0
[M+HCOO]- 359.10373 191.4
[M+CH3COO]- 373.11938 181.5
[M+Na-2H]- 335.08020 179.4
[M]+ 314.10498 170.3
[M]- 314.10608 170.3
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.