CID 217667

Brn 0482976

Structural Information

Molecular Formula
C15H11NO3
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C3=CC=CC=C3C1=O
InChI
InChI=1S/C15H11NO3/c1-16-13-8-9(15(18)19)6-7-11(13)10-4-2-3-5-12(10)14(16)17/h2-8H,1H3,(H,18,19)
InChIKey
POWQIXGTAKAJCR-UHFFFAOYSA-N
Compound name
5-methyl-6-oxophenanthridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.5
[M+Na]+ 276.06312 164.3
[M-H]- 252.06662 156.6
[M+NH4]+ 271.10772 170.1
[M+K]+ 292.03706 159.4
[M+H-H2O]+ 236.07116 145.2
[M+HCOO]- 298.07210 173.1
[M+CH3COO]- 312.08775 165.6
[M+Na-2H]- 274.04857 160.4
[M]+ 253.07335 155.9
[M]- 253.07445 155.9
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

No patent data available for this compound.