CID 516612

121845-63-4

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C14H12N4O/c1-2-19-11-5-3-10(4-6-11)14-16-13-9-15-8-7-12(13)17-18-14/h3-9H,2H2,1H3

InChIKey

VQLHQAWJTBFBDQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1011 Da
Monoisotopic Mass: 1.6
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]+	253.10838	158.4
[M+Na]+	275.09032	168.3
[M-H]-	251.09382	160.6
[M+NH4]+	270.13492	170.7
[M+K]+	291.06426	162.8
[M+H-H2O]+	235.09836	147.3
[M+HCOO]-	297.09930	177.0
[M+CH3COO]-	311.11495	169.5
[M+Na-2H]-	273.07577	168.1
[M]+	252.10055	160.1
[M]-	252.10165	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.