CID 71594565

(2s)-1-[2-[(7-chloro-4-quinolyl)amino]ethylamino]-3-(4-phenylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C24H30ClN5O
SMILES
C1CN(CCN1C[C@H](CNCCNC2=C3C=CC(=CC3=NC=C2)Cl)O)C4=CC=CC=C4
InChI
InChI=1S/C24H30ClN5O/c25-19-6-7-22-23(8-9-27-24(22)16-19)28-11-10-26-17-21(31)18-29-12-14-30(15-13-29)20-4-2-1-3-5-20/h1-9,16,21,26,31H,10-15,17-18H2,(H,27,28)/t21-/m0/s1
InChIKey
GWMGEXLUIGRWQT-NRFANRHFSA-N
Compound name
(2S)-1-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.2139 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.22118 203.5
[M+Na]+ 462.20312 205.9
[M-H]- 438.20662 206.4
[M+NH4]+ 457.24772 208.2
[M+K]+ 478.17706 197.5
[M+H-H2O]+ 422.21116 190.9
[M+HCOO]- 484.21210 212.1
[M+CH3COO]- 498.22775 208.5
[M+Na-2H]- 460.18857 206.5
[M]+ 439.21335 200.4
[M]- 439.21445 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.