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

19
Patents

239.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 148.0
[M+Na]+ 262.047458 158.9
[M-H]- 238.050964 150.5
[M+NH4]+ 257.092063 165.2
[M+K]+ 278.021398 153.4
[M+H-H2O]+ 222.055500 141.1
[M+HCOO]- 284.056441 167.5
[M+CH3COO]- 298.072091 160.6
[M+Na-2H]- 260.032906 156.8
[M]+ 239.05769142 148.9
[M]- 239.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe