CID 154699566

Ns00117877

Structural Information

Molecular Formula

C₂₁H₁₃NO₂

SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C4C5=CC=C(C(=O)C5=CC=C4N3)O

InChI

InChI=1S/C21H13NO2/c23-20-10-7-14-15(21(20)24)6-9-19-17(14)11-16-13-4-2-1-3-12(13)5-8-18(16)22-19/h1-11,22-23H

InChIKey

QXBMKEPHJWMBQN-UHFFFAOYSA-N

Compound name

7-hydroxy-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,9,11,15,17,19,21-decaen-8-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 311.09464 Da
Monoisotopic Mass: 4.1
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]+	312.101916	169.3
[M+Na]+	334.083858	182.1
[M-H]-	310.087364	174.0
[M+NH4]+	329.128463	185.5
[M+K]+	350.057798	173.4
[M+H-H2O]+	294.091900	160.1
[M+HCOO]-	356.092841	187.2
[M+CH3COO]-	370.108491	180.9
[M+Na-2H]-	332.069306	180.6
[M]+	311.09409142	171.6
[M]-	311.09518858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.