CID 3063596

1h-pyrido(2,3-e)-1,4-diazepine-2,3,5-trione, 4-(2-(diethylamino)ethyl)-

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃

SMILES

CCN(CC)CCN1C(=O)C2=C(NC(=O)C1=O)N=CC=C2

InChI

InChI=1S/C14H18N4O3/c1-3-17(4-2)8-9-18-13(20)10-6-5-7-15-11(10)16-12(19)14(18)21/h5-7H,3-4,8-9H2,1-2H3,(H,15,16,19)

InChIKey

VYOFXEKGDHEDJI-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethyl]-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.13788 Da
Monoisotopic Mass: 0.5
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]+	291.145156	163.1
[M+Na]+	313.127098	172.7
[M-H]-	289.130604	166.2
[M+NH4]+	308.171703	175.4
[M+K]+	329.101038	174.0
[M+H-H2O]+	273.135140	153.9
[M+HCOO]-	335.136081	183.9
[M+CH3COO]-	349.151731	206.5
[M+Na-2H]-	311.112546	169.0
[M]+	290.13733142	165.7
[M]-	290.13842858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.