CID 217620

39020-77-4

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₃

SMILES

CCCCOC1=C(C=NN(C1=O)C)N2CCOCC2

InChI

InChI=1S/C13H21N3O3/c1-3-4-7-19-12-11(10-14-15(2)13(12)17)16-5-8-18-9-6-16/h10H,3-9H2,1-2H3

InChIKey

MKWKQYKIHFNMNG-UHFFFAOYSA-N

Compound name

4-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 267.1583 Da
Monoisotopic Mass: 0.9
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]+	268.16558	163.5
[M+Na]+	290.14752	170.4
[M-H]-	266.15102	166.1
[M+NH4]+	285.19212	174.5
[M+K]+	306.12146	168.7
[M+H-H2O]+	250.15556	153.4
[M+HCOO]-	312.15650	179.6
[M+CH3COO]-	326.17215	197.2
[M+Na-2H]-	288.13297	167.3
[M]+	267.15775	164.7
[M]-	267.15885	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe