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]+ 408.191776 200.7
[M+Na]+ 430.173718 206.5
[M-H]- 406.177224 206.4
[M+NH4]+ 425.218323 207.3
[M+K]+ 446.147658 201.7
[M+H-H2O]+ 390.181760 187.6
[M+HCOO]- 452.182701 214.0
[M+CH3COO]- 466.198351 208.1
[M+Na-2H]- 428.159166 201.7
[M]+ 407.18395142 201.7
[M]- 407.18504858 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.