CID 3063593

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

Structural Information

Molecular Formula

C₁₃H₁₄N₄O₄

SMILES

C1COCCN1CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3

InChI

InChI=1S/C13H14N4O4/c18-11-13(20)17(8-16-4-6-21-7-5-16)12(19)9-2-1-3-14-10(9)15-11/h1-3H,4-8H2,(H,14,15,18)

InChIKey

MCEWAMBOKICDPT-UHFFFAOYSA-N

Compound name

4-(morpholin-4-ylmethyl)-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: 290.1015 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]+	291.108776	164.2
[M+Na]+	313.090718	173.4
[M-H]-	289.094224	167.6
[M+NH4]+	308.135323	172.7
[M+K]+	329.064658	174.0
[M+H-H2O]+	273.098760	153.1
[M+HCOO]-	335.099701	178.8
[M+CH3COO]-	349.115351	174.2
[M+Na-2H]-	311.076166	170.2
[M]+	290.10095142	161.7
[M]-	290.10204858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.