CID 45050892

2-(4-tert-butylphenyl)-4-(1-pyrrolidinyl)quinoline

Structural Information

Molecular Formula
C23H26N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCCC4
InChI
InChI=1S/C23H26N2/c1-23(2,3)18-12-10-17(11-13-18)21-16-22(25-14-6-7-15-25)19-8-4-5-9-20(19)24-21/h4-5,8-13,16H,6-7,14-15H2,1-3H3
InChIKey
GNNNBBKULVIHKT-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4-pyrrolidin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 184.5
[M+Na]+ 353.198818 190.9
[M-H]- 329.202324 191.9
[M+NH4]+ 348.243423 198.1
[M+K]+ 369.172758 184.1
[M+H-H2O]+ 313.206860 174.2
[M+HCOO]- 375.207801 200.3
[M+CH3COO]- 389.223451 194.1
[M+Na-2H]- 351.184266 186.4
[M]+ 330.20905142 182.0
[M]- 330.21014858 182.0
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.