CID 488348

Chembl148579

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CCNCC3)C4CC4)C(=O)O
InChI
InChI=1S/C17H19FN4O3/c1-9-12-14(23)11(17(24)25)8-22(10-2-3-10)15(12)20-16(13(9)18)21-6-4-19-5-7-21/h8,10,19H,2-7H2,1H3,(H,24,25)
InChIKey
ASILTIBOLNLADA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

346.1441 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 192.3
[M+Na]+ 369.13332 202.2
[M-H]- 345.13682 194.0
[M+NH4]+ 364.17792 195.2
[M+K]+ 385.10726 193.4
[M+H-H2O]+ 329.14136 181.3
[M+HCOO]- 391.14230 202.0
[M+CH3COO]- 405.15795 199.0
[M+Na-2H]- 367.11877 191.0
[M]+ 346.14355 189.8
[M]- 346.14465 189.8
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

patents stripe