CID 71594570

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

Structural Information

Molecular Formula
C26H34ClN5O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C[C@H](CNCCNC3=C4C=CC(=CC4=NC=C3)Cl)O
InChI
InChI=1S/C26H34ClN5O2/c1-2-34-26-6-4-3-5-25(26)32-15-13-31(14-16-32)19-21(33)18-28-11-12-30-23-9-10-29-24-17-20(27)7-8-22(23)24/h3-10,17,21,28,33H,2,11-16,18-19H2,1H3,(H,29,30)/t21-/m0/s1
InChIKey
BHLQWCOAFDRMRK-NRFANRHFSA-N
Compound name
(2S)-1-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

483.2401 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.24738 215.5
[M+Na]+ 506.22932 217.7
[M-H]- 482.23282 218.5
[M+NH4]+ 501.27392 218.6
[M+K]+ 522.20326 209.8
[M+H-H2O]+ 466.23736 202.5
[M+HCOO]- 528.23830 223.6
[M+CH3COO]- 542.25395 219.8
[M+Na-2H]- 504.21477 216.9
[M]+ 483.23955 214.9
[M]- 483.24065 214.9
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.