CID 826247

4-methoxy-2-phenylquinoline

Structural Information

Molecular Formula
C16H13NO
SMILES
COC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h2-11H,1H3
InChIKey
CVJHRDUVYHASOG-UHFFFAOYSA-N
Compound name
4-methoxy-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

73
Patents

235.09972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 152.0
[M+Na]+ 258.08894 161.0
[M-H]- 234.09244 158.4
[M+NH4]+ 253.13354 169.3
[M+K]+ 274.06288 156.2
[M+H-H2O]+ 218.09698 143.3
[M+HCOO]- 280.09792 174.3
[M+CH3COO]- 294.11357 164.8
[M+Na-2H]- 256.07439 160.7
[M]+ 235.09917 153.0
[M]- 235.10027 153.0
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