CID 465566

Pd162281

Structural Information

Molecular Formula
C20H23F2N3O3
SMILES
CC(C)N1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H23F2N3O3/c1-11(2)23-5-7-24(8-6-23)18-15(21)9-13-17(16(18)22)25(12-3-4-12)10-14(19(13)26)20(27)28/h9-12H,3-8H2,1-2H3,(H,27,28)
InChIKey
RKMQZLAWAPJYNO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

391.17075 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17803 197.3
[M+Na]+ 414.15997 206.8
[M-H]- 390.16347 200.2
[M+NH4]+ 409.20457 200.6
[M+K]+ 430.13391 198.8
[M+H-H2O]+ 374.16801 185.7
[M+HCOO]- 436.16895 206.7
[M+CH3COO]- 450.18460 224.9
[M+Na-2H]- 412.14542 193.2
[M]+ 391.17020 196.0
[M]- 391.17130 196.0
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