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]+ 331.21688 184.5
[M+Na]+ 353.19882 190.9
[M-H]- 329.20232 191.9
[M+NH4]+ 348.24342 198.1
[M+K]+ 369.17276 184.1
[M+H-H2O]+ 313.20686 174.2
[M+HCOO]- 375.20780 200.3
[M+CH3COO]- 389.22345 194.1
[M+Na-2H]- 351.18427 186.4
[M]+ 330.20905 182.0
[M]- 330.21015 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.