CID 217607

Brn 0997656

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃

SMILES

CCN1C(=O)C(=C(C=N1)N2CCOCC2)OCC

InChI

InChI=1S/C12H19N3O3/c1-3-15-12(16)11(18-4-2)10(9-13-15)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3

InChIKey

JWWWMDJCZHCGDW-UHFFFAOYSA-N

Compound name

4-ethoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 253.14264 Da
Monoisotopic Mass: 0.3
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]+	254.14992	159.0
[M+Na]+	276.13186	166.4
[M-H]-	252.13536	161.8
[M+NH4]+	271.17646	170.6
[M+K]+	292.10580	164.9
[M+H-H2O]+	236.13990	149.1
[M+HCOO]-	298.14084	175.4
[M+CH3COO]-	312.15649	194.2
[M+Na-2H]-	274.11731	163.4
[M]+	253.14209	159.8
[M]-	253.14319	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe