CID 16728024

Chembl225823

Structural Information

Molecular Formula
C16H12N2O
SMILES
CC1=CC(=C2C(=C1)C3=C(C=C(C=C3)C#N)C(=O)N2)C
InChI
InChI=1S/C16H12N2O/c1-9-5-10(2)15-13(6-9)12-4-3-11(8-17)7-14(12)16(19)18-15/h3-7H,1-2H3,(H,18,19)
InChIKey
ANMRYIWIULSARQ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-oxo-5H-phenanthridine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 161.0
[M+Na]+ 271.08418 175.6
[M-H]- 247.08768 163.8
[M+NH4]+ 266.12878 177.3
[M+K]+ 287.05812 166.6
[M+H-H2O]+ 231.09222 147.7
[M+HCOO]- 293.09316 178.1
[M+CH3COO]- 307.10881 172.2
[M+Na-2H]- 269.06963 167.3
[M]+ 248.09441 157.9
[M]- 248.09551 157.9
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

No patent data available for this compound.