CID 3035604

7-benzyloxyquinoline

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=CC=N3)C=C2
InChI
InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2
InChIKey
SIDLHXXVIBTSJZ-UHFFFAOYSA-N
Compound name
7-phenylmethoxyquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

275
Patents

235.09972 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe