CID 138002896

2201350-93-6

Structural Information

Molecular Formula

C₂₁H₂₃N₅O₂

SMILES

CN1CCN(CC1)C2=C(C=CC=N2)CNC3=C(C=NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H23N5O2/c1-25-9-11-26(12-10-25)20-15(5-4-8-22-20)13-24-19-16-6-2-3-7-18(16)23-14-17(19)21(27)28/h2-8,14H,9-13H2,1H3,(H,23,24)(H,27,28)

InChIKey

MOIFRRJHIVGARR-UHFFFAOYSA-N

Compound name

4-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]quinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 377.18518 Da
Monoisotopic Mass: 0.7
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]+	378.192456	192.6
[M+Na]+	400.174398	197.6
[M-H]-	376.177904	195.5
[M+NH4]+	395.219003	198.0
[M+K]+	416.148338	190.5
[M+H-H2O]+	360.182440	179.7
[M+HCOO]-	422.183381	204.6
[M+CH3COO]-	436.199031	199.1
[M+Na-2H]-	398.159846	195.9
[M]+	377.18463142	188.2
[M]-	377.18572858	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.