CID 137949946

2172030-80-5

Structural Information

Molecular Formula
C24H20N2O5
SMILES
C1CN(CC2=C1NC(=O)C=C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H20N2O5/c27-22-11-18(23(28)29)19-12-26(10-9-21(19)25-22)24(30)31-13-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-8,11,20H,9-10,12-13H2,(H,25,27)(H,28,29)
InChIKey
QGECONJLLSVZNR-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.144476 196.4
[M+Na]+ 439.126418 202.8
[M-H]- 415.129924 200.4
[M+NH4]+ 434.171023 206.6
[M+K]+ 455.100358 196.6
[M+H-H2O]+ 399.134460 186.8
[M+HCOO]- 461.135401 207.6
[M+CH3COO]- 475.151051 203.9
[M+Na-2H]- 437.111866 197.0
[M]+ 416.13665142 195.8
[M]- 416.13774858 195.8
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.