PubChemLite - 2172030-80-5 (C24H20N2O5)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	417.14448	196.4
[M+Na]+	439.12642	202.8
[M-H]-	415.12992	200.4
[M+NH4]+	434.17102	206.6
[M+K]+	455.10036	196.6
[M+H-H2O]+	399.13446	186.8
[M+HCOO]-	461.13540	207.6
[M+CH3COO]-	475.15105	203.9
[M+Na-2H]-	437.11187	197.0
[M]+	416.13665	195.8
[M]-	416.13775	195.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.14448

196.4

[M+Na]+

439.12642

202.8

[M-H]-

415.12992

200.4

[M+NH4]+

434.17102

206.6

[M+K]+

455.10036

196.6

[M+H-H2O]+

399.13446

186.8

[M+HCOO]-

461.13540

207.6

[M+CH3COO]-

475.15105

203.9

[M+Na-2H]-

437.11187

197.0

[M]+

416.13665

195.8

[M]-

416.13775

195.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2172030-80-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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