CID 373163

Nsc649106

Structural Information

Molecular Formula
C19H15NO4
SMILES
COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4CC3)NC2=O)C(=O)O
InChI
InChI=1S/C19H15NO4/c1-24-14-9-8-12-13-7-6-10-4-2-3-5-11(10)17(13)20-18(21)15(12)16(14)19(22)23/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKey
QRRGROMTBZODEN-UHFFFAOYSA-N
Compound name
8-methoxy-6-oxo-11,12-dihydro-5H-benzo[c]phenanthridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 171.0
[M+Na]+ 344.08932 180.2
[M-H]- 320.09282 173.7
[M+NH4]+ 339.13392 185.6
[M+K]+ 360.06326 174.4
[M+H-H2O]+ 304.09736 162.8
[M+HCOO]- 366.09830 185.4
[M+CH3COO]- 380.11395 181.2
[M+Na-2H]- 342.07477 176.9
[M]+ 321.09955 171.6
[M]- 321.10065 171.6
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.