CID 217664

5,6-dihydro-6-oxophenanthridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 149.1
[M+Na]+ 262.04746 165.1
[M+NH4]+ 257.09206 157.3
[M+K]+ 278.02140 158.1
[M-H]- 238.05096 151.1
[M+Na-2H]- 260.03291 156.2
[M]+ 239.05769 152.0
[M]- 239.05879 152.0
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

patents stripe