CID 3053377

Piperazineethanol, 4-phenyl-, n-(7-chloro-2-methyl-4-quinolyl)anthranilate, dihydrochloride

Structural Information

Molecular Formula
C29H29ClN4O2
SMILES
CC1=CC(=C2C=CC(=CC2=N1)Cl)NC3=CC=CC=C3C(=O)OCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C29H29ClN4O2/c1-21-19-27(24-12-11-22(30)20-28(24)31-21)32-26-10-6-5-9-25(26)29(35)36-18-17-33-13-15-34(16-14-33)23-7-3-2-4-8-23/h2-12,19-20H,13-18H2,1H3,(H,31,32)
InChIKey
CZYHKIBSWVAMQG-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloro-2-methylquinolin-4-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

500.1979 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20518 225.4
[M+Na]+ 523.18712 242.7
[M+NH4]+ 518.23172 232.5
[M+K]+ 539.16106 231.4
[M-H]- 499.19062 233.9
[M+Na-2H]- 521.17257 235.5
[M]+ 500.19735 230.7
[M]- 500.19845 230.7
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.