CID 16728030

Chembl225666

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

CC1=CC(=C2C(=C1)C3=CC=CC=C3C(=O)N2)C

InChI

InChI=1S/C15H13NO/c1-9-7-10(2)14-13(8-9)11-5-3-4-6-12(11)15(17)16-14/h3-8H,1-2H3,(H,16,17)

InChIKey

CYJBFJDGIFYSFP-UHFFFAOYSA-N

Compound name

2,4-dimethyl-5H-phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 223.09972 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.10700	147.1
[M+Na]+	246.08894	159.4
[M-H]-	222.09244	151.2
[M+NH4]+	241.13354	166.4
[M+K]+	262.06288	153.2
[M+H-H2O]+	206.09698	140.2
[M+HCOO]-	268.09792	168.3
[M+CH3COO]-	282.11357	160.8
[M+Na-2H]-	244.07439	156.2
[M]+	223.09917	149.0
[M]-	223.10027	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe