CID 16126524

2-(4-methoxybenzyloxy)-4-methylquinoline

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC(=NC2=CC=CC=C12)OCC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17NO2/c1-13-11-18(19-17-6-4-3-5-16(13)17)21-12-14-7-9-15(20-2)10-8-14/h3-11H,12H2,1-2H3
InChIKey
NZVDQMQUHTVZAH-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methoxy]-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

279.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.0
[M+Na]+ 302.11514 173.8
[M-H]- 278.11864 171.4
[M+NH4]+ 297.15974 180.6
[M+K]+ 318.08908 169.2
[M+H-H2O]+ 262.12318 155.7
[M+HCOO]- 324.12412 186.7
[M+CH3COO]- 338.13977 177.0
[M+Na-2H]- 300.10059 171.8
[M]+ 279.12537 168.4
[M]- 279.12647 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe