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)pyridin-3-yl]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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 192.6
[M+Na]+ 400.17440 197.6
[M-H]- 376.17790 195.5
[M+NH4]+ 395.21900 198.0
[M+K]+ 416.14834 190.5
[M+H-H2O]+ 360.18244 179.7
[M+HCOO]- 422.18338 204.6
[M+CH3COO]- 436.19903 199.1
[M+Na-2H]- 398.15985 195.9
[M]+ 377.18463 188.2
[M]- 377.18573 188.2
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.