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]+ 360.243426 195.3
[M+Na]+ 382.225368 201.1
[M-H]- 358.228874 200.6
[M+NH4]+ 377.269973 204.4
[M+K]+ 398.199308 193.7
[M+H-H2O]+ 342.233410 182.9
[M+HCOO]- 404.234351 206.8
[M+CH3COO]- 418.250001 202.9
[M+Na-2H]- 380.210816 197.8
[M]+ 359.23560142 191.5
[M]- 359.23669858 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.