CID 465564

Pd163050

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C19H25FN4O3/c1-5-22-6-8-23(9-7-22)17-14(20)10-12-15(25)13(18(26)27)11-24(16(12)21-17)19(2,3)4/h10-11H,5-9H2,1-4H3,(H,26,27)
InChIKey
OVHAOWSQROVGGI-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

376.19107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19835 195.2
[M+Na]+ 399.18029 203.3
[M-H]- 375.18379 194.8
[M+NH4]+ 394.22489 202.4
[M+K]+ 415.15423 197.6
[M+H-H2O]+ 359.18833 184.3
[M+HCOO]- 421.18927 203.3
[M+CH3COO]- 435.20492 219.7
[M+Na-2H]- 397.16574 195.1
[M]+ 376.19052 193.5
[M]- 376.19162 193.5
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

No patent data available for this compound.