CID 481701

1-cyclopropyl-6-fluoro-7-[5-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C18H19FN4O3
SMILES
CNC12CC1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
InChI
InChI=1S/C18H19FN4O3/c1-20-18-5-9(18)6-22(8-18)16-13(19)4-11-14(24)12(17(25)26)7-23(10-2-3-10)15(11)21-16/h4,7,9-10,20H,2-3,5-6,8H2,1H3,(H,25,26)
InChIKey
PHAZWWYAAWPLMY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[1-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.1441 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15138 196.3
[M+Na]+ 381.13332 206.0
[M-H]- 357.13682 201.2
[M+NH4]+ 376.17792 199.4
[M+K]+ 397.10726 199.0
[M+H-H2O]+ 341.14136 189.7
[M+HCOO]- 403.14230 208.1
[M+CH3COO]- 417.15795 202.6
[M+Na-2H]- 379.11877 194.8
[M]+ 358.14355 200.0
[M]- 358.14465 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.