CID 24844811

5h-pyrido(2,3-e)(1,3)diazepine-5,9(8h)-dione, 8-(2-(diethylamino)ethyl)-, oxalate

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-3-17(4-2)8-9-18-10-16-13(19)11-6-5-7-15-12(11)14(18)20/h5-7,10H,3-4,8-9H2,1-2H3

InChIKey

JJSFBQIXCISFDD-UHFFFAOYSA-N

Compound name

8-[2-(diethylamino)ethyl]pyrido[2,3-e][1,3]diazepine-5,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.14297 Da
Monoisotopic Mass: 0.8
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]+	275.150246	159.7
[M+Na]+	297.132188	168.8
[M-H]-	273.135694	163.7
[M+NH4]+	292.176793	173.1
[M+K]+	313.106128	170.4
[M+H-H2O]+	257.140230	150.2
[M+HCOO]-	319.141171	181.6
[M+CH3COO]-	333.156821	206.2
[M+Na-2H]-	295.117636	166.8
[M]+	274.14242142	163.0
[M]-	274.14351858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.