CID 3053066

Brn 0537088

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₂

SMILES

COC1=NC(=CN=N1)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C14H16N4O2/c1-19-14-16-13(10-15-17-14)11-2-4-12(5-3-11)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3

InChIKey

CZILVVMDXMUXKU-UHFFFAOYSA-N

Compound name

4-[4-(3-methoxy-1,2,4-triazin-5-yl)phenyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 272.12732 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]+	273.134596	164.5
[M+Na]+	295.116538	171.1
[M-H]-	271.120044	168.5
[M+NH4]+	290.161143	172.9
[M+K]+	311.090478	167.9
[M+H-H2O]+	255.124580	152.2
[M+HCOO]-	317.125521	179.6
[M+CH3COO]-	331.141171	174.1
[M+Na-2H]-	293.101986	170.7
[M]+	272.12677142	162.4
[M]-	272.12786858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe