CID 483603

182869-08-5

Structural Information

Molecular Formula
C22H19F4N3O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F
InChI
InChI=1S/C22H19F4N3O3/c1-10-7-28(8-11(2)27-10)20-16(25)6-13-19(18(20)26)29(9-14(21(13)30)22(31)32)17-4-3-12(23)5-15(17)24/h3-6,9-11,27H,7-8H2,1-2H3,(H,31,32)
InChIKey
DENFGZRZUOJXKX-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.13626 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14354 210.3
[M+Na]+ 472.12548 221.0
[M-H]- 448.12898 210.0
[M+NH4]+ 467.17008 215.1
[M+K]+ 488.09942 211.8
[M+H-H2O]+ 432.13352 195.7
[M+HCOO]- 494.13446 216.5
[M+CH3COO]- 508.15011 233.2
[M+Na-2H]- 470.11093 204.5
[M]+ 449.13571 203.9
[M]- 449.13681 203.9
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.