CID 5059

Rev 5901

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
InChIKey
JRLOEMCOOZSCQP-UHFFFAOYSA-N
Compound name
1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

92
References

297
Patents

335.18854 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 183.3
[M+Na]+ 358.17776 188.5
[M-H]- 334.18126 187.1
[M+NH4]+ 353.22236 195.5
[M+K]+ 374.15170 182.7
[M+H-H2O]+ 318.18580 173.5
[M+HCOO]- 380.18674 201.1
[M+CH3COO]- 394.20239 210.8
[M+Na-2H]- 356.16321 187.0
[M]+ 335.18799 185.2
[M]- 335.18909 185.2
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