CID 165738759

6-[1-(4-cyclopropylphenyl)ethoxy]-4-methylquinoline

Structural Information

Molecular Formula
C21H21NO
SMILES
CC1=C2C=C(C=CC2=NC=C1)OC(C)C3=CC=C(C=C3)C4CC4
InChI
InChI=1S/C21H21NO/c1-14-11-12-22-21-10-9-19(13-20(14)21)23-15(2)16-3-5-17(6-4-16)18-7-8-18/h3-6,9-13,15,18H,7-8H2,1-2H3
InChIKey
SGOSUMRPERODJC-UHFFFAOYSA-N
Compound name
6-[1-(4-cyclopropylphenyl)ethoxy]-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 172.7
[M+Na]+ 326.15154 181.7
[M-H]- 302.15504 182.0
[M+NH4]+ 321.19614 182.5
[M+K]+ 342.12548 176.0
[M+H-H2O]+ 286.15958 163.1
[M+HCOO]- 348.16052 192.9
[M+CH3COO]- 362.17617 183.4
[M+Na-2H]- 324.13699 176.9
[M]+ 303.16177 175.8
[M]- 303.16287 175.8
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.