CID 3581387

1-methyl-1,10-phenanthrolin-2(1h)-one

Structural Information

Molecular Formula
C13H10N2O
SMILES
CN1C(=O)C=CC2=C1C3=C(C=CC=N3)C=C2
InChI
InChI=1S/C13H10N2O/c1-15-11(16)7-6-10-5-4-9-3-2-8-14-12(9)13(10)15/h2-8H,1H3
InChIKey
IXAWJXFNSQYESB-UHFFFAOYSA-N
Compound name
1-methyl-1,10-phenanthrolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 142.9
[M+Na]+ 233.068538 155.6
[M-H]- 209.072044 146.8
[M+NH4]+ 228.113143 161.7
[M+K]+ 249.042478 150.4
[M+H-H2O]+ 193.076580 134.8
[M+HCOO]- 255.077521 164.9
[M+CH3COO]- 269.093171 156.9
[M+Na-2H]- 231.053986 154.2
[M]+ 210.07877142 146.0
[M]- 210.07986858 146.0
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