CID 1853

6(5h)-phenanthridinone

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey
RZFVLEJOHSLEFR-UHFFFAOYSA-N
Compound name
5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

98
References

2304
Patents

195.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 137.3
[M+Na]+ 218.057638 148.6
[M-H]- 194.061144 141.0
[M+NH4]+ 213.102243 157.1
[M+K]+ 234.031578 142.8
[M+H-H2O]+ 178.065680 130.4
[M+HCOO]- 240.066621 159.2
[M+CH3COO]- 254.082271 151.1
[M+Na-2H]- 216.043086 149.0
[M]+ 195.06787142 137.7
[M]- 195.06896858 137.7
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

patents stripe