CID 3051746

Brn 0840801

Structural Information

Molecular Formula

C₂₀H₂₇N₃O

SMILES

CCN(CC)CCN1C(=O)CN2C3=C(CCCC3)C4=C2C1=CC=C4

InChI

InChI=1S/C20H27N3O/c1-3-21(4-2)12-13-22-18-11-7-9-16-15-8-5-6-10-17(15)23(20(16)18)14-19(22)24/h7,9,11H,3-6,8,10,12-14H2,1-2H3

InChIKey

SCJKLBNWGKQSQJ-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethyl]-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.21542 Da
Monoisotopic Mass: 3.3
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]+	326.222696	180.1
[M+Na]+	348.204638	186.3
[M-H]-	324.208144	183.2
[M+NH4]+	343.249243	197.0
[M+K]+	364.178578	181.2
[M+H-H2O]+	308.212680	170.6
[M+HCOO]-	370.213621	195.7
[M+CH3COO]-	384.229271	189.6
[M+Na-2H]-	346.190086	182.7
[M]+	325.21487142	181.8
[M]-	325.21596858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.