CID 461429

Pd 117186

Structural Information

Molecular Formula
C14H17FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)NC(C)CN)F)C(=O)O
InChI
InChI=1S/C14H17FN4O3/c1-3-19-6-9(14(21)22)11(20)8-4-10(15)12(18-13(8)19)17-7(2)5-16/h4,6-7H,3,5,16H2,1-2H3,(H,17,18)(H,21,22)
InChIKey
DYWGBKJJXJQFFI-UHFFFAOYSA-N
Compound name
7-(1-aminopropan-2-ylamino)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.12848 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13576 170.1
[M+Na]+ 331.11770 178.9
[M-H]- 307.12120 169.7
[M+NH4]+ 326.16230 182.3
[M+K]+ 347.09164 174.8
[M+H-H2O]+ 291.12574 161.2
[M+HCOO]- 353.12668 187.9
[M+CH3COO]- 367.14233 211.9
[M+Na-2H]- 329.10315 171.8
[M]+ 308.12793 169.9
[M]- 308.12903 169.9
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.