CID 3063595

4-(2-hydroxy-3-(4-morpholino)propyl)-1h-pyrido(2,3-e)-1,4-diazepine-2,3,5(4h)-trione

Structural Information

Molecular Formula

C₁₅H₁₈N₄O₅

SMILES

C1COCCN1CC(CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3)O

InChI

InChI=1S/C15H18N4O5/c20-10(8-18-4-6-24-7-5-18)9-19-14(22)11-2-1-3-16-12(11)17-13(21)15(19)23/h1-3,10,20H,4-9H2,(H,16,17,21)

InChIKey

LMRZSQNLGONTLH-UHFFFAOYSA-N

Compound name

4-(2-hydroxy-3-morpholin-4-ylpropyl)-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: 334.12772 Da
Monoisotopic Mass: -1.2
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]+	335.134996	175.0
[M+Na]+	357.116938	182.5
[M-H]-	333.120444	177.0
[M+NH4]+	352.161543	181.0
[M+K]+	373.090878	183.4
[M+H-H2O]+	317.124980	163.8
[M+HCOO]-	379.125921	186.8
[M+CH3COO]-	393.141571	183.3
[M+Na-2H]-	355.102386	178.8
[M]+	334.12717142	172.3
[M]-	334.12826858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.