CID 3012849

6-amino-1-cyclopropyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C24H26N4O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)N
InChI
InChI=1S/C24H26N4O4/c1-32-22-5-3-2-4-19(22)26-8-10-27(11-9-26)21-13-20-16(12-18(21)25)23(29)17(24(30)31)14-28(20)15-6-7-15/h2-5,12-15H,6-11,25H2,1H3,(H,30,31)
InChIKey
AKBWKGHPAQXOGE-UHFFFAOYSA-N
Compound name
6-amino-1-cyclopropyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

434.1954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20268 210.3
[M+Na]+ 457.18462 218.2
[M-H]- 433.18812 217.9
[M+NH4]+ 452.22922 210.7
[M+K]+ 473.15856 210.4
[M+H-H2O]+ 417.19266 199.1
[M+HCOO]- 479.19360 223.2
[M+CH3COO]- 493.20925 216.5
[M+Na-2H]- 455.17007 208.7
[M]+ 434.19485 210.0
[M]- 434.19595 210.0
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

No patent data available for this compound.