CID 13268404

882865-15-8

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
CCOC(=O)C1=CNC2=NC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)C
InChI
InChI=1S/C17H19FN4O4/c1-3-26-17(25)12-9-19-15-11(14(12)24)8-13(18)16(20-15)22-6-4-21(5-7-22)10(2)23/h8-9H,3-7H2,1-2H3,(H,19,20,24)
InChIKey
YAQCNXDPGPHOFM-UHFFFAOYSA-N
Compound name
ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.13904 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 185.5
[M+Na]+ 385.12826 193.2
[M-H]- 361.13176 185.0
[M+NH4]+ 380.17286 192.7
[M+K]+ 401.10220 187.9
[M+H-H2O]+ 345.13630 174.1
[M+HCOO]- 407.13724 195.4
[M+CH3COO]- 421.15289 213.9
[M+Na-2H]- 383.11371 185.4
[M]+ 362.13849 183.4
[M]- 362.13959 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe