CID 483178

93107-11-0

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₃

SMILES

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C17H19N3O3/c21-16-13-4-3-12(19-7-5-18-6-8-19)9-15(13)20(11-1-2-11)10-14(16)17(22)23/h3-4,9-11,18H,1-2,5-8H2,(H,22,23)

InChIKey

IWQJEAWVHIBCDP-UHFFFAOYSA-N

Compound name

1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 313.14264 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.14992	180.2
[M+Na]+	336.13186	188.5
[M-H]-	312.13536	184.0
[M+NH4]+	331.17646	185.4
[M+K]+	352.10580	181.0
[M+H-H2O]+	296.13990	170.5
[M+HCOO]-	358.14084	192.5
[M+CH3COO]-	372.15649	188.0
[M+Na-2H]-	334.11731	181.5
[M]+	313.14209	177.5
[M]-	313.14319	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe