PubChemLite - Schembl5002447 (C24H30FN4O6P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(CCNC(=O)C1=C(C2=C(C=C(C=N2)CC3=CC=C(C=C3)F)N(C1=O)C)O)NCCOC

InChI

InChI=1S/C24H30FN4O6P/c1-4-35-36(33,28-9-11-34-3)12-10-26-23(31)20-22(30)21-19(29(2)24(20)32)14-17(15-27-21)13-16-5-7-18(25)8-6-16/h5-8,14-15,30H,4,9-13H2,1-3H3,(H,26,31)(H,28,33)

InChIKey

WCNGCEUVDHMBDL-UHFFFAOYSA-N

Compound name

N-[2-[ethoxy-(2-methoxyethylamino)phosphoryl]ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

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]+	521.19598	224.9
[M+Na]+	543.17792	229.6
[M-H]-	519.18142	225.9
[M+NH4]+	538.22252	228.1
[M+K]+	559.15186	226.0
[M+H-H2O]+	503.18596	210.4
[M+HCOO]-	565.18690	245.6
[M+CH3COO]-	579.20255	251.1
[M+Na-2H]-	541.16337	223.7
[M]+	520.18815	230.5
[M]-	520.18925	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.19598

224.9

[M+Na]+

543.17792

229.6

[M-H]-

519.18142

225.9

[M+NH4]+

538.22252

228.1

[M+K]+

559.15186

226.0

[M+H-H2O]+

503.18596

210.4

[M+HCOO]-

565.18690

245.6

[M+CH3COO]-

579.20255

251.1

[M+Na-2H]-

541.16337

223.7

[M]+

520.18815

230.5

[M]-

520.18925

230.5

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

Schembl5002447

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe