CID 209363

19789-70-9

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₂

SMILES

CN(CCC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1)C=O

InChI

InChI=1S/C22H24N2O2/c1-23(15-25)12-11-21(26)24-13-18-7-4-6-17-10-9-16-5-2-3-8-19(16)20(14-24)22(17)18/h2-8,15,20H,9-14H2,1H3

InChIKey

RUPOWZTXTLSJHJ-UHFFFAOYSA-N

Compound name

N-[3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-3-oxopropyl]-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.18378 Da
Monoisotopic Mass: 2.4
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]+	349.191056	182.6
[M+Na]+	371.172998	186.9
[M-H]-	347.176504	188.2
[M+NH4]+	366.217603	197.0
[M+K]+	387.146938	186.2
[M+H-H2O]+	331.181040	175.1
[M+HCOO]-	393.181981	197.5
[M+CH3COO]-	407.197631	191.4
[M+Na-2H]-	369.158446	186.8
[M]+	348.18323142	180.6
[M]-	348.18432858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.