CID 510385

Chembl2260417

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O
InChI
InChI=1S/C18H21N3O3/c1-19-6-8-20(9-7-19)13-4-5-14-16(10-13)21(12-2-3-12)11-15(17(14)22)18(23)24/h4-5,10-12H,2-3,6-9H2,1H3,(H,23,24)
InChIKey
XHRMZUHUGOIRKI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.1583 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 186.3
[M+Na]+ 350.147518 195.3
[M-H]- 326.151024 191.5
[M+NH4]+ 345.192123 191.8
[M+K]+ 366.121458 188.4
[M+H-H2O]+ 310.155560 176.2
[M+HCOO]- 372.156501 199.5
[M+CH3COO]- 386.172151 194.5
[M+Na-2H]- 348.132966 186.5
[M]+ 327.15775142 185.9
[M]- 327.15884858 185.9
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

patents stripe