CID 978355

Piperazine, 1-(2-quinolinyl)-4-(3,4,5-trimethoxybenzoyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H25N3O4/c1-28-19-14-17(15-20(29-2)22(19)30-3)23(27)26-12-10-25(11-13-26)21-9-8-16-6-4-5-7-18(16)24-21/h4-9,14-15H,10-13H2,1-3H3
InChIKey
WKLHIVOOXGVAHH-UHFFFAOYSA-N
Compound name
(4-quinolin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 200.7
[M+Na]+ 430.17372 206.5
[M-H]- 406.17722 206.4
[M+NH4]+ 425.21832 207.3
[M+K]+ 446.14766 201.7
[M+H-H2O]+ 390.18176 187.6
[M+HCOO]- 452.18270 214.0
[M+CH3COO]- 466.19835 208.1
[M+Na-2H]- 428.15917 201.7
[M]+ 407.18395 201.7
[M]- 407.18505 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.