CID 459603

Benzyloxyquinoline

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C(C=C1)COC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChIKey
NWIAYUZWWLSLBI-UHFFFAOYSA-N
Compound name
2-phenylmethoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

248
Patents

235.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 151.8
[M+Na]+ 258.08894 159.8
[M-H]- 234.09244 157.8
[M+NH4]+ 253.13354 168.7
[M+K]+ 274.06288 155.0
[M+H-H2O]+ 218.09698 142.9
[M+HCOO]- 280.09792 174.1
[M+CH3COO]- 294.11357 164.3
[M+Na-2H]- 256.07439 161.3
[M]+ 235.09917 152.4
[M]- 235.10027 152.4
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.