CID 465912

Chembl276516

Structural Information

Molecular Formula
C21H26FN3O3
SMILES
CC(C)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C21H26FN3O3/c1-13(2)11-23-5-7-24(8-6-23)19-10-18-15(9-17(19)22)20(26)16(21(27)28)12-25(18)14-3-4-14/h9-10,12-14H,3-8,11H2,1-2H3,(H,27,28)
InChIKey
PTPXTAZSWDQYTP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.19583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20311 199.1
[M+Na]+ 410.18505 207.2
[M-H]- 386.18855 202.8
[M+NH4]+ 405.22965 202.3
[M+K]+ 426.15899 199.7
[M+H-H2O]+ 370.19309 188.0
[M+HCOO]- 432.19403 209.3
[M+CH3COO]- 446.20968 223.9
[M+Na-2H]- 408.17050 195.8
[M]+ 387.19528 198.6
[M]- 387.19638 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.