CID 516611

121845-62-3

Structural Information

Molecular Formula

C₁₄H₁₃N₅

SMILES

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

InChI

InChI=1S/C14H13N5/c1-19(2)11-5-3-10(4-6-11)14-16-13-9-15-8-7-12(13)17-18-14/h3-9H,1-2H3

InChIKey

VMCOUAAPOBDSCN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-pyrido[3,4-e][1,2,4]triazin-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 251.1171 Da
Monoisotopic Mass: 1.3
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]+	252.12438	158.4
[M+Na]+	274.10632	167.6
[M-H]-	250.10982	162.0
[M+NH4]+	269.15092	171.1
[M+K]+	290.08026	162.8
[M+H-H2O]+	234.11436	147.1
[M+HCOO]-	296.11530	178.4
[M+CH3COO]-	310.13095	169.7
[M+Na-2H]-	272.09177	168.2
[M]+	251.11655	159.3
[M]-	251.11765	159.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.