CID 483600

182868-75-3

Structural Information

Molecular Formula
C21H26FN3O4
SMILES
CCOC1=C2C(=CC(=C1N3CC(NC(C3)C)C)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C21H26FN3O4/c1-4-29-20-17-14(19(26)15(21(27)28)10-25(17)13-5-6-13)7-16(22)18(20)24-8-11(2)23-12(3)9-24/h7,10-13,23H,4-6,8-9H2,1-3H3,(H,27,28)
InChIKey
KZZVMTDXSLAXNK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.19073 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19801 203.6
[M+Na]+ 426.17995 213.1
[M-H]- 402.18345 206.7
[M+NH4]+ 421.22455 206.0
[M+K]+ 442.15389 204.8
[M+H-H2O]+ 386.18799 193.1
[M+HCOO]- 448.18893 213.2
[M+CH3COO]- 462.20458 225.7
[M+Na-2H]- 424.16540 199.6
[M]+ 403.19018 204.3
[M]- 403.19128 204.3
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.