CID 208933

79286-76-3

Structural Information

Molecular Formula
C15H17FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)N)F)C(=O)O
InChI
InChI=1S/C15H17FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h5,7-8H,2-4,6,17H2,1H3,(H,22,23)
InChIKey
BQDVLIDLHOSQHC-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

216
Patents

320.12848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13576 173.6
[M+Na]+ 343.11770 183.1
[M-H]- 319.12120 175.2
[M+NH4]+ 338.16230 185.9
[M+K]+ 359.09164 177.8
[M+H-H2O]+ 303.12574 164.2
[M+HCOO]- 365.12668 189.0
[M+CH3COO]- 379.14233 209.2
[M+Na-2H]- 341.10315 172.6
[M]+ 320.12793 171.5
[M]- 320.12903 171.5
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