CID 3039709

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

Structural Information

Molecular Formula
C28H27ClN4O2
SMILES
C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5
InChI
InChI=1S/C28H27ClN4O2/c29-21-10-11-23-26(12-13-30-27(23)20-21)31-25-9-5-4-8-24(25)28(34)35-19-18-32-14-16-33(17-15-32)22-6-2-1-3-7-22/h1-13,20H,14-19H2,(H,30,31)
InChIKey
QMAWRWOIFQJMSQ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.18225 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.18953 217.5
[M+Na]+ 509.17147 221.4
[M-H]- 485.17497 224.6
[M+NH4]+ 504.21607 220.5
[M+K]+ 525.14541 212.6
[M+H-H2O]+ 469.17951 202.5
[M+HCOO]- 531.18045 226.2
[M+CH3COO]- 545.19610 222.5
[M+Na-2H]- 507.15692 219.2
[M]+ 486.18170 216.0
[M]- 486.18280 216.0
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.