CID 443684

Trisphaeridine

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1OC2=C(O1)C=C3C4=CC=CC=C4N=CC3=C2

InChI

InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)11-6-14-13(16-8-17-14)5-9(11)7-15-12/h1-7H,8H2

InChIKey

RFILRSDHWIIIMN-UHFFFAOYSA-N

Compound name

[1,3]dioxolo[4,5-j]phenanthridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 39
Patents: 223.06332 Da
Monoisotopic Mass: 3.3
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]+	224.070596	142.6
[M+Na]+	246.052538	154.2
[M-H]-	222.056044	149.7
[M+NH4]+	241.097143	161.9
[M+K]+	262.026478	151.8
[M+H-H2O]+	206.060580	135.8
[M+HCOO]-	268.061521	162.9
[M+CH3COO]-	282.077171	157.0
[M+Na-2H]-	244.037986	153.9
[M]+	223.06277142	146.6
[M]-	223.06386858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe