CID 45050887

2-(4-tert-butylphenyl)-4-(4-morpholinyl)quinoline

Structural Information

Molecular Formula
C23H26N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCOCC4
InChI
InChI=1S/C23H26N2O/c1-23(2,3)18-10-8-17(9-11-18)21-16-22(25-12-14-26-15-13-25)19-6-4-5-7-20(19)24-21/h4-11,16H,12-15H2,1-3H3
InChIKey
FNYBNTAJCVOMSO-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)quinolin-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 188.2
[M+Na]+ 369.19372 193.8
[M-H]- 345.19722 195.5
[M+NH4]+ 364.23832 197.7
[M+K]+ 385.16766 188.7
[M+H-H2O]+ 329.20176 176.7
[M+HCOO]- 391.20270 201.0
[M+CH3COO]- 405.21835 196.8
[M+Na-2H]- 367.17917 192.7
[M]+ 346.20395 185.3
[M]- 346.20505 185.3
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.