CID 483414

182868-80-0

Structural Information

Molecular Formula
C21H26FN3O4
SMILES
CCOC1=C2C(=CC(=C1N3CCC(C3)CNC)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C21H26FN3O4/c1-3-29-20-17-14(19(26)15(21(27)28)11-25(17)13-4-5-13)8-16(22)18(20)24-7-6-12(10-24)9-23-2/h8,11-13,23H,3-7,9-10H2,1-2H3,(H,27,28)
InChIKey
HDMUHFXQBYLDTG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-ethoxy-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.19073 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19801 194.9
[M+Na]+ 426.17995 203.9
[M-H]- 402.18345 201.0
[M+NH4]+ 421.22455 200.8
[M+K]+ 442.15389 196.5
[M+H-H2O]+ 386.18799 185.9
[M+HCOO]- 448.18893 210.5
[M+CH3COO]- 462.20458 228.0
[M+Na-2H]- 424.16540 191.8
[M]+ 403.19018 198.2
[M]- 403.19128 198.2
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

No patent data available for this compound.