CID 16728028

Chembl436140

Structural Information

Molecular Formula
C15H10N2O
SMILES
CC1=C2C(=CC=C1)C3=C(C=CC(=C3)C#N)C(=O)N2
InChI
InChI=1S/C15H10N2O/c1-9-3-2-4-11-13-7-10(8-16)5-6-12(13)15(18)17-14(9)11/h2-7H,1H3,(H,17,18)
InChIKey
HEIQYCUVUQDHRX-UHFFFAOYSA-N
Compound name
4-methyl-6-oxo-5H-phenanthridine-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.07932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08660 156.8
[M+Na]+ 257.06854 171.0
[M-H]- 233.07204 159.4
[M+NH4]+ 252.11314 173.2
[M+K]+ 273.04248 162.0
[M+H-H2O]+ 217.07658 143.4
[M+HCOO]- 279.07752 174.2
[M+CH3COO]- 293.09317 168.1
[M+Na-2H]- 255.05399 164.2
[M]+ 234.07877 153.0
[M]- 234.07987 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.