CID 3072785

144043-47-0

Structural Information

Molecular Formula

C₁₈H₂₃FN₄O₃

SMILES

CC1CC(CN1C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F)N

InChI

InChI=1S/C18H23FN4O3/c1-9-5-10(20)7-22(9)16-13(19)6-11-14(24)12(17(25)26)8-23(15(11)21-16)18(2,3)4/h6,8-10H,5,7,20H2,1-4H3,(H,25,26)

InChIKey

DTHROGKZOMNYTO-UHFFFAOYSA-N

Compound name

7-(4-amino-2-methylpyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.1754 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

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]+	363.182676	188.8
[M+Na]+	385.164618	198.2
[M-H]-	361.168124	190.6
[M+NH4]+	380.209223	199.8
[M+K]+	401.138558	193.0
[M+H-H2O]+	345.172660	180.1
[M+HCOO]-	407.173601	201.4
[M+CH3COO]-	421.189251	219.3
[M+Na-2H]-	383.150066	186.6
[M]+	362.17485142	187.5
[M]-	362.17594858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.