CID 45050905

853310-61-9

Structural Information

Molecular Formula
C28H36N2
SMILES
CC1(CCCC(N1C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)(C)C)C
InChI
InChI=1S/C28H36N2/c1-26(2,3)21-15-13-20(14-16-21)24-19-25(22-11-8-9-12-23(22)29-24)30-27(4,5)17-10-18-28(30,6)7/h8-9,11-16,19H,10,17-18H2,1-7H3
InChIKey
USXFGKJNSCVGCP-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.28784 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29512 205.3
[M+Na]+ 423.27706 212.6
[M-H]- 399.28056 212.6
[M+NH4]+ 418.32166 218.7
[M+K]+ 439.25100 205.7
[M+H-H2O]+ 383.28510 193.4
[M+HCOO]- 445.28604 217.1
[M+CH3COO]- 459.30169 213.4
[M+Na-2H]- 421.26251 207.3
[M]+ 400.28729 203.6
[M]- 400.28839 203.6
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.