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 195.3
[M+Na]+ 382.22537 201.1
[M-H]- 358.22887 200.6
[M+NH4]+ 377.26997 204.4
[M+K]+ 398.19931 193.7
[M+H-H2O]+ 342.23341 182.9
[M+HCOO]- 404.23435 206.8
[M+CH3COO]- 418.25000 202.9
[M+Na-2H]- 380.21082 197.8
[M]+ 359.23560 191.5
[M]- 359.23670 191.5
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.