CID 13688798

103175-73-1

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)C)F)C(=O)O
InChI
InChI=1S/C19H22FN3O4/c1-3-22-11-14(19(26)27)18(25)13-8-15(20)17(9-16(13)22)23-6-4-21(5-7-23)10-12(2)24/h8-9,11H,3-7,10H2,1-2H3,(H,26,27)
InChIKey
SOYKHROCYAGPMS-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

375.15942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 188.8
[M+Na]+ 398.148638 196.3
[M-H]- 374.152144 189.5
[M+NH4]+ 393.193243 197.0
[M+K]+ 414.122578 191.0
[M+H-H2O]+ 358.156680 178.0
[M+HCOO]- 420.157621 199.3
[M+CH3COO]- 434.173271 219.5
[M+Na-2H]- 396.134086 186.9
[M]+ 375.15887142 187.4
[M]- 375.15996858 187.4
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