CID 45050893

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

Structural Information

Molecular Formula
C25H30N2
SMILES
CC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C25H30N2/c1-18-13-15-27(16-14-18)24-17-23(26-22-8-6-5-7-21(22)24)19-9-11-20(12-10-19)25(2,3)4/h5-12,17-18H,13-16H2,1-4H3
InChIKey
LIXDQLBINDHSRE-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2409 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24818 194.0
[M+Na]+ 381.23012 199.4
[M-H]- 357.23362 200.6
[M+NH4]+ 376.27472 204.6
[M+K]+ 397.20406 192.2
[M+H-H2O]+ 341.23816 182.4
[M+HCOO]- 403.23910 206.7
[M+CH3COO]- 417.25475 202.0
[M+Na-2H]- 379.21557 196.1
[M]+ 358.24035 190.1
[M]- 358.24145 190.1
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

No patent data available for this compound.