CID 3077166

Rs-7102

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

CN(C)C1CC2=C3C4C1CCCC4CC(=O)N3C5=C2C(=CC=C5)O

InChI

InChI=1S/C20H24N2O2/c1-21(2)15-10-13-19-14(7-4-8-16(19)23)22-17(24)9-11-5-3-6-12(15)18(11)20(13)22/h4,7-8,11-12,15,18,23H,3,5-6,9-10H2,1-2H3

InChIKey

COMJKRPIZQLNST-UHFFFAOYSA-N

Compound name

10-(dimethylamino)-6-hydroxy-1-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.18378 Da
Monoisotopic Mass: 3.2
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]+	325.191056	175.0
[M+Na]+	347.172998	181.3
[M-H]-	323.176504	178.6
[M+NH4]+	342.217603	193.8
[M+K]+	363.146938	176.2
[M+H-H2O]+	307.181040	167.0
[M+HCOO]-	369.181981	187.1
[M+CH3COO]-	383.197631	184.5
[M+Na-2H]-	345.158446	177.3
[M]+	324.18323142	174.2
[M]-	324.18432858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.