CID 465918

Chembl15324

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CN(C)CC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O3/c1-22(2)9-12-5-6-23(10-12)18-8-17-14(7-16(18)21)19(25)15(20(26)27)11-24(17)13-3-4-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,26,27)
InChIKey
QTMADRQVOXAJAJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

373.18018 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 187.9
[M+Na]+ 396.16940 196.9
[M-H]- 372.17290 195.2
[M+NH4]+ 391.21400 195.4
[M+K]+ 412.14334 190.4
[M+H-H2O]+ 356.17744 178.8
[M+HCOO]- 418.17838 204.4
[M+CH3COO]- 432.19403 224.8
[M+Na-2H]- 394.15485 185.1
[M]+ 373.17963 190.2
[M]- 373.18073 190.2
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.