CID 516596

55242-75-6

Structural Information

Molecular Formula

C₁₃H₁₀N₄O

SMILES

C1=CC=C(C=C1)OCC2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C13H10N4O/c1-2-4-10(5-3-1)18-9-13-15-12-8-14-7-6-11(12)16-17-13/h1-8H,9H2

InChIKey

PQTQRKSYRYRINV-UHFFFAOYSA-N

Compound name

3-(phenoxymethyl)pyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 238.08546 Da
Monoisotopic Mass: 1.1
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]+	239.09274	153.0
[M+Na]+	261.07468	162.3
[M-H]-	237.07818	154.9
[M+NH4]+	256.11928	165.5
[M+K]+	277.04862	157.1
[M+H-H2O]+	221.08272	141.8
[M+HCOO]-	283.08366	171.9
[M+CH3COO]-	297.09931	164.2
[M+Na-2H]-	259.06013	164.1
[M]+	238.08491	153.9
[M]-	238.08601	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe