CID 3044981

57962-04-6

Structural Information

Molecular Formula
C23H27N3
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H27N3/c1-2-6-20(7-3-1)12-14-25-16-18-26(19-17-25)15-13-22-11-10-21-8-4-5-9-23(21)24-22/h1-11H,12-19H2
InChIKey
KUIHHXDVPFEUOQ-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22778 187.6
[M+Na]+ 368.20972 191.5
[M-H]- 344.21322 191.8
[M+NH4]+ 363.25432 196.4
[M+K]+ 384.18366 183.6
[M+H-H2O]+ 328.21776 174.3
[M+HCOO]- 390.21870 201.2
[M+CH3COO]- 404.23435 194.8
[M+Na-2H]- 366.19517 191.5
[M]+ 345.21995 183.1
[M]- 345.22105 183.1
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

patents stripe