CID 135480774

121845-90-7

Structural Information

Molecular Formula

C₁₅H₁₆N₄

SMILES

CCC1(NC2=C(C=CN=C2)N=N1)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4/c1-2-15(10-12-6-4-3-5-7-12)17-14-11-16-9-8-13(14)18-19-15/h3-9,11,17H,2,10H2,1H3

InChIKey

AAVGYAJINOGMOV-UHFFFAOYSA-N

Compound name

3-benzyl-3-ethyl-4H-pyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1375 Da
Monoisotopic Mass: 3.5
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]+	253.144776	161.0
[M+Na]+	275.126718	169.2
[M-H]-	251.130224	161.3
[M+NH4]+	270.171323	174.4
[M+K]+	291.100658	162.7
[M+H-H2O]+	235.134760	150.0
[M+HCOO]-	297.135701	176.4
[M+CH3COO]-	311.151351	170.8
[M+Na-2H]-	273.112166	170.4
[M]+	252.13695142	158.4
[M]-	252.13804858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.