CID 39626

5-benzoyl-6,7,8,9-tetrahydro-5h-1,3-dioxolo(4,5-b)carbazole

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CC=C5)OCO4

InChI

InChI=1S/C20H17NO3/c22-20(13-6-2-1-3-7-13)21-16-9-5-4-8-14(16)15-10-18-19(11-17(15)21)24-12-23-18/h1-3,6-7,10-11H,4-5,8-9,12H2

InChIKey

WZBINVVSXDHJJT-UHFFFAOYSA-N

Compound name

phenyl(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 4.6
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]+	320.128126	171.1
[M+Na]+	342.110068	179.6
[M-H]-	318.113574	180.7
[M+NH4]+	337.154673	187.6
[M+K]+	358.084008	176.7
[M+H-H2O]+	302.118110	164.2
[M+HCOO]-	364.119051	187.8
[M+CH3COO]-	378.134701	182.9
[M+Na-2H]-	340.095516	174.0
[M]+	319.12030142	172.9
[M]-	319.12139858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.