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

3
Patents

327.1583 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 186.3
[M+Na]+ 350.14752 195.3
[M-H]- 326.15102 191.5
[M+NH4]+ 345.19212 191.8
[M+K]+ 366.12146 188.4
[M+H-H2O]+ 310.15556 176.2
[M+HCOO]- 372.15650 199.5
[M+CH3COO]- 386.17215 194.5
[M+Na-2H]- 348.13297 186.5
[M]+ 327.15775 185.9
[M]- 327.15885 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