CID 16728033

6-oxo-5,6-dihydrophenanthridine-2-carboxylic acid

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)C(=O)O)NC2=O
InChI
InChI=1S/C14H9NO3/c16-13-10-4-2-1-3-9(10)11-7-8(14(17)18)5-6-12(11)15-13/h1-7H,(H,15,16)(H,17,18)
InChIKey
UQJFJMGMOGWAFO-UHFFFAOYSA-N
Compound name
6-oxo-5H-phenanthridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.0
[M+Na]+ 262.04746 158.9
[M-H]- 238.05096 150.5
[M+NH4]+ 257.09206 165.2
[M+K]+ 278.02140 153.4
[M+H-H2O]+ 222.05550 141.1
[M+HCOO]- 284.05644 167.5
[M+CH3COO]- 298.07209 160.6
[M+Na-2H]- 260.03291 156.8
[M]+ 239.05769 148.9
[M]- 239.05879 148.9
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.