CID 871348

Ethyl 6,7,8-trifluoro-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-quinolinecarboxylate

Structural Information

Molecular Formula
C14H11F3N2O4
SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)N(C)C=O
InChI
InChI=1S/C14H11F3N2O4/c1-3-23-14(22)8-5-19(18(2)6-20)12-7(13(8)21)4-9(15)10(16)11(12)17/h4-6H,3H2,1-2H3
InChIKey
IABQCXKNOGCUPS-UHFFFAOYSA-N
Compound name
ethyl 6,7,8-trifluoro-1-[formyl(methyl)amino]-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

328.06708 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07436 166.4
[M+Na]+ 351.05630 178.2
[M-H]- 327.05980 168.3
[M+NH4]+ 346.10090 181.2
[M+K]+ 367.03024 175.3
[M+H-H2O]+ 311.06434 156.2
[M+HCOO]- 373.06528 186.4
[M+CH3COO]- 387.08093 216.4
[M+Na-2H]- 349.04175 167.8
[M]+ 328.06653 169.8
[M]- 328.06763 169.8
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