CID 45050894

853310-51-7

Structural Information

Molecular Formula
C24H28N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NC4CCCC4
InChI
InChI=1S/C24H28N2/c1-24(2,3)18-14-12-17(13-15-18)22-16-23(25-19-8-4-5-9-19)20-10-6-7-11-21(20)26-22/h6-7,10-16,19H,4-5,8-9H2,1-3H3,(H,25,26)
InChIKey
WHFCTIRZGICRRF-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-N-cyclopentylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.22525 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.23253 186.6
[M+Na]+ 367.21447 191.8
[M-H]- 343.21797 195.2
[M+NH4]+ 362.25907 200.8
[M+K]+ 383.18841 185.0
[M+H-H2O]+ 327.22251 177.0
[M+HCOO]- 389.22345 204.6
[M+CH3COO]- 403.23910 196.1
[M+Na-2H]- 365.19992 189.0
[M]+ 344.22470 183.5
[M]- 344.22580 183.5
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.