CID 608061

7,8,9,10-tetrahydrophenanthridin-6(5h)-one

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: 4
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]+	200.10700	142.1
[M+Na]+	222.08894	157.1
[M+NH4]+	217.13354	152.3
[M+K]+	238.06288	148.6
[M-H]-	198.09244	145.5
[M+Na-2H]-	220.07439	149.1
[M]+	199.09917	145.3
[M]-	199.10027	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe