CID 497182

Chembl15314

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CCC(C4)CN)F)C(=O)O
InChI
InChI=1S/C17H19FN4O3/c18-13-5-11-14(23)12(17(24)25)8-22(10-1-2-10)15(11)20-16(13)21-4-3-9(6-19)7-21/h5,8-10H,1-4,6-7,19H2,(H,24,25)
InChIKey
ZJMPXMSYPYIIPQ-UHFFFAOYSA-N
Compound name
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

346.1441 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 183.2
[M+Na]+ 369.13332 193.6
[M-H]- 345.13682 187.9
[M+NH4]+ 364.17792 189.6
[M+K]+ 385.10726 185.5
[M+H-H2O]+ 329.14136 174.0
[M+HCOO]- 391.14230 198.3
[M+CH3COO]- 405.15795 191.9
[M+Na-2H]- 367.11877 181.2
[M]+ 346.14355 183.0
[M]- 346.14465 183.0
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

patents stripe