CID 3062095

80221-68-7

Structural Information

Molecular Formula
C30H32N2
SMILES
C1CN(CCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CCC5=CC=CC=C5
InChI
InChI=1S/C30H32N2/c1-3-9-24(10-4-1)17-20-32-21-18-25(19-22-32)15-16-27-23-30(26-11-5-2-6-12-26)31-29-14-8-7-13-28(27)29/h1-14,23,25H,15-22H2
InChIKey
MHCRMJVJNZDKMJ-UHFFFAOYSA-N
Compound name
2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

420.25656 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.26384 208.9
[M+Na]+ 443.24578 211.5
[M-H]- 419.24928 216.7
[M+NH4]+ 438.29038 215.2
[M+K]+ 459.21972 201.9
[M+H-H2O]+ 403.25382 194.0
[M+HCOO]- 465.25476 222.1
[M+CH3COO]- 479.27041 214.6
[M+Na-2H]- 441.23123 210.2
[M]+ 420.25601 203.4
[M]- 420.25711 203.4
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