CID 285359

5-methoxy-4,7-phenanthroline

Structural Information

Molecular Formula
C13H10N2O
SMILES
COC1=C2C(=C3C=CC=NC3=C1)C=CC=N2
InChI
InChI=1S/C13H10N2O/c1-16-12-8-11-9(4-2-6-14-11)10-5-3-7-15-13(10)12/h2-8H,1H3
InChIKey
MATJLKZMEUUKEN-UHFFFAOYSA-N
Compound name
5-methoxy-4,7-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

210.07932 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 143.3
[M+Na]+ 233.06854 154.7
[M-H]- 209.07204 146.7
[M+NH4]+ 228.11314 161.8
[M+K]+ 249.04248 150.1
[M+H-H2O]+ 193.07658 134.9
[M+HCOO]- 255.07752 165.1
[M+CH3COO]- 269.09317 156.9
[M+Na-2H]- 231.05399 155.4
[M]+ 210.07877 146.6
[M]- 210.07987 146.6
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