CID 71594569

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

Structural Information

Molecular Formula
C24H29Cl2N5O
SMILES
C1CN(CCN1C[C@H](CNCCNC2=C3C=CC(=CC3=NC=C2)Cl)O)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H29Cl2N5O/c25-18-5-6-20-22(7-8-28-23(20)15-18)29-10-9-27-16-19(32)17-30-11-13-31(14-12-30)24-4-2-1-3-21(24)26/h1-8,15,19,27,32H,9-14,16-17H2,(H,28,29)/t19-/m0/s1
InChIKey
IOLNYAJRZHCIPB-IBGZPJMESA-N
Compound name
(2S)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

473.17493 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18221 209.1
[M+Na]+ 496.16415 212.8
[M-H]- 472.16765 211.5
[M+NH4]+ 491.20875 213.4
[M+K]+ 512.13809 203.8
[M+H-H2O]+ 456.17219 197.0
[M+HCOO]- 518.17313 212.7
[M+CH3COO]- 532.18878 213.7
[M+Na-2H]- 494.14960 210.6
[M]+ 473.17438 208.0
[M]- 473.17548 208.0
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.