CID 11588529

853344-32-8

Structural Information

Molecular Formula
C24H29N3
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCN(CC4)C
InChI
InChI=1S/C24H29N3/c1-24(2,3)19-11-9-18(10-12-19)22-17-23(27-15-13-26(4)14-16-27)20-7-5-6-8-21(20)25-22/h5-12,17H,13-16H2,1-4H3
InChIKey
TVKNYMRECWINQC-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.23615 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 193.5
[M+Na]+ 382.22537 210.0
[M+NH4]+ 377.26997 202.0
[M+K]+ 398.19931 200.2
[M-H]- 358.22887 199.8
[M+Na-2H]- 380.21082 203.0
[M]+ 359.23560 198.0
[M]- 359.23670 198.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.