CID 39630

50332-28-0

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1CCC(C1)CC(=O)N2C3=C(CCCC3)C4=CC5=C(C=C42)OCO5

InChI

InChI=1S/C20H23NO3/c22-20(9-13-5-1-2-6-13)21-16-8-4-3-7-14(16)15-10-18-19(11-17(15)21)24-12-23-18/h10-11,13H,1-9,12H2

InChIKey

MWFCNOZYORBKID-UHFFFAOYSA-N

Compound name

2-cyclopentyl-1-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 5.1
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]+	326.175076	175.3
[M+Na]+	348.157018	181.6
[M-H]-	324.160524	184.3
[M+NH4]+	343.201623	193.4
[M+K]+	364.130958	179.2
[M+H-H2O]+	308.165060	170.2
[M+HCOO]-	370.166001	190.1
[M+CH3COO]-	384.181651	186.2
[M+Na-2H]-	346.142466	173.4
[M]+	325.16725142	175.3
[M]-	325.16834858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.