CID 278848

2,9-dimethyl(1,10)phenanthrolin-4-ol

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=NC2=C(C=C1)C=CC3=C2NC(=CC3=O)C
InChI
InChI=1S/C14H12N2O/c1-8-3-4-10-5-6-11-12(17)7-9(2)16-14(11)13(10)15-8/h3-7H,1-2H3,(H,16,17)
InChIKey
OVXHELNHLDLYEY-UHFFFAOYSA-N
Compound name
2,9-dimethyl-1H-1,10-phenanthrolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.4
[M+Na]+ 247.08418 161.1
[M-H]- 223.08768 151.1
[M+NH4]+ 242.12878 166.2
[M+K]+ 263.05812 154.8
[M+H-H2O]+ 207.09222 140.7
[M+HCOO]- 269.09316 168.5
[M+CH3COO]- 283.10881 161.6
[M+Na-2H]- 245.06963 157.9
[M]+ 224.09441 150.4
[M]- 224.09551 150.4
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.