CID 71594573

(2r)-1-[3-[(7-chloro-4-quinolyl)amino]propylamino]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

Structural Information

Molecular Formula
C25H31ClFN5O
SMILES
C1CN(CCN1C[C@@H](CNCCCNC2=C3C=CC(=CC3=NC=C2)Cl)O)C4=CC=CC=C4F
InChI
InChI=1S/C25H31ClFN5O/c26-19-6-7-21-23(8-11-30-24(21)16-19)29-10-3-9-28-17-20(33)18-31-12-14-32(15-13-31)25-5-2-1-4-22(25)27/h1-2,4-8,11,16,20,28,33H,3,9-10,12-15,17-18H2,(H,29,30)/t20-/m1/s1
InChIKey
VVDLOBZBQPVMGW-HXUWFJFHSA-N
Compound name
(2R)-1-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.22012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.22740 211.8
[M+Na]+ 494.20934 214.8
[M-H]- 470.21284 213.5
[M+NH4]+ 489.25394 215.5
[M+K]+ 510.18328 205.7
[M+H-H2O]+ 454.21738 198.2
[M+HCOO]- 516.21832 219.0
[M+CH3COO]- 530.23397 216.1
[M+Na-2H]- 492.19479 212.9
[M]+ 471.21957 208.6
[M]- 471.22067 208.6
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.