CID 1268243

100491-29-0

Structural Information

Molecular Formula
C17H10ClF3N2O3
SMILES
CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)Cl)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C17H10ClF3N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(19)5-11(13)20)16-9(14(10)24)6-12(21)15(18)22-16/h3-7H,2H2,1H3
InChIKey
JLSXYCZRMYCIMY-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

382.0332 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04048 180.7
[M+Na]+ 405.02242 194.6
[M-H]- 381.02592 183.1
[M+NH4]+ 400.06702 192.4
[M+K]+ 420.99636 187.3
[M+H-H2O]+ 365.03046 169.2
[M+HCOO]- 427.03140 193.1
[M+CH3COO]- 441.04705 219.0
[M+Na-2H]- 403.00787 181.9
[M]+ 382.03265 184.6
[M]- 382.03375 184.6
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