CID 2813231

Oprea1_632478

Structural Information

Molecular Formula

C₁₆H₁₆N₄O₄

SMILES

C1COCCN1C2=CC=CC=C2NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C16H16N4O4/c21-15(13-14(16(22)23)18-6-5-17-13)19-11-3-1-2-4-12(11)20-7-9-24-10-8-20/h1-6H,7-10H2,(H,19,21)(H,22,23)

InChIKey

WTVSRSFNSNCZMP-UHFFFAOYSA-N

Compound name

3-[(2-morpholin-4-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 328.11716 Da
Monoisotopic Mass: 0.6
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]+	329.124436	175.2
[M+Na]+	351.106378	179.3
[M-H]-	327.109884	179.5
[M+NH4]+	346.150983	181.3
[M+K]+	367.080318	176.5
[M+H-H2O]+	311.114420	163.7
[M+HCOO]-	373.115361	189.5
[M+CH3COO]-	387.131011	206.6
[M+Na-2H]-	349.091826	178.9
[M]+	328.11661142	171.3
[M]-	328.11770858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.