CID 217669

6-methoxy-3-phenanthridinecarboxylic acid

Structural Information

Molecular Formula
C15H11NO3
SMILES
COC1=NC2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C15H11NO3/c1-19-14-12-5-3-2-4-10(12)11-7-6-9(15(17)18)8-13(11)16-14/h2-8H,1H3,(H,17,18)
InChIKey
MAIWAAOKNLTBPJ-UHFFFAOYSA-N
Compound name
6-methoxyphenanthridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.3
[M+Na]+ 276.06312 163.9
[M-H]- 252.06662 157.0
[M+NH4]+ 271.10772 170.6
[M+K]+ 292.03706 159.6
[M+H-H2O]+ 236.07116 145.8
[M+HCOO]- 298.07210 173.8
[M+CH3COO]- 312.08775 166.1
[M+Na-2H]- 274.04857 162.0
[M]+ 253.07335 157.0
[M]- 253.07445 157.0
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

No patent data available for this compound.