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]+ 304.169596 172.7
[M+Na]+ 326.151538 181.7
[M-H]- 302.155044 182.0
[M+NH4]+ 321.196143 182.5
[M+K]+ 342.125478 176.0
[M+H-H2O]+ 286.159580 163.1
[M+HCOO]- 348.160521 192.9
[M+CH3COO]- 362.176171 183.4
[M+Na-2H]- 324.136986 176.9
[M]+ 303.16177142 175.8
[M]- 303.16286858 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.