CID 488261

74029-44-0

Structural Information

Molecular Formula
C17H19F2N3O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCF)F
InChI
InChI=1S/C17H19F2N3O3/c1-20-4-6-21(7-5-20)15-9-14-11(8-13(15)19)16(23)12(17(24)25)10-22(14)3-2-18/h8-10H,2-7H2,1H3,(H,24,25)
InChIKey
QKWMLWIDWFIZHY-UHFFFAOYSA-N
Compound name
6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

43
Patents

351.13943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14671 182.8
[M+Na]+ 374.12865 191.4
[M-H]- 350.13215 182.3
[M+NH4]+ 369.17325 192.1
[M+K]+ 390.10259 185.3
[M+H-H2O]+ 334.13669 171.0
[M+HCOO]- 396.13763 193.5
[M+CH3COO]- 410.15328 213.7
[M+Na-2H]- 372.11410 182.0
[M]+ 351.13888 179.4
[M]- 351.13998 179.4
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