CID 608061

4514-04-9

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1CCC2=C(C1)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H13NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h3-4,6,8H,1-2,5,7H2,(H,14,15)

InChIKey

OTXJKBUDMLOVIB-UHFFFAOYSA-N

Compound name

7,8,9,10-tetrahydro-5H-phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 199.09972 Da
Monoisotopic Mass: 2.3
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]+	200.106996	140.6
[M+Na]+	222.088938	148.8
[M-H]-	198.092444	143.0
[M+NH4]+	217.133543	159.9
[M+K]+	238.062878	143.5
[M+H-H2O]+	182.096980	133.6
[M+HCOO]-	244.097921	158.2
[M+CH3COO]-	258.113571	152.7
[M+Na-2H]-	220.074386	149.2
[M]+	199.09917142	136.6
[M]-	199.10026858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe