CID 45050885

2-(4-tert-butylphenyl)-4-(1-piperidinyl)quinoline

Structural Information

Molecular Formula
C24H28N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCCC4
InChI
InChI=1S/C24H28N2/c1-24(2,3)19-13-11-18(12-14-19)22-17-23(26-15-7-4-8-16-26)20-9-5-6-10-21(20)25-22/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3
InChIKey
TWNYZGJOGYPFEJ-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-piperidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.22525 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.23253 189.1
[M+Na]+ 367.21447 194.0
[M-H]- 343.21797 195.4
[M+NH4]+ 362.25907 199.9
[M+K]+ 383.18841 186.9
[M+H-H2O]+ 327.22251 177.5
[M+HCOO]- 389.22345 202.1
[M+CH3COO]- 403.23910 197.2
[M+Na-2H]- 365.19992 192.4
[M]+ 344.22470 184.5
[M]- 344.22580 184.5
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.