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]+ 363.146316 185.5
[M+Na]+ 385.128258 193.2
[M-H]- 361.131764 185.0
[M+NH4]+ 380.172863 192.7
[M+K]+ 401.102198 187.9
[M+H-H2O]+ 345.136300 174.1
[M+HCOO]- 407.137241 195.4
[M+CH3COO]- 421.152891 213.9
[M+Na-2H]- 383.113706 185.4
[M]+ 362.13849142 183.4
[M]- 362.13958858 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