CID 465464

Pd163755

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)C)F
InChI
InChI=1S/C19H24FN3O3/c1-10(2)23-9-14(19(25)26)18(24)13-5-15(20)17(6-16(13)23)22-7-11(3)21-12(4)8-22/h5-6,9-12,21H,7-8H2,1-4H3,(H,25,26)
InChIKey
HRUIQWXIUSSRCD-UHFFFAOYSA-N
Compound name
7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 188.3
[M+Na]+ 384.16940 196.3
[M-H]- 360.17290 188.1
[M+NH4]+ 379.21400 197.0
[M+K]+ 400.14334 190.2
[M+H-H2O]+ 344.17744 178.3
[M+HCOO]- 406.17838 196.9
[M+CH3COO]- 420.19403 217.1
[M+Na-2H]- 382.15485 185.1
[M]+ 361.17963 184.9
[M]- 361.18073 184.9
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.