CID 516607

121845-58-7

Structural Information

Molecular Formula

C₁₆H₁₆N₄

SMILES

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

InChI

InChI=1S/C16H16N4/c1-16(2,3)12-6-4-11(5-7-12)15-18-14-10-17-9-8-13(14)19-20-15/h4-10H,1-3H3

InChIKey

JMEJFIDFLUQJQG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.13748 Da
Monoisotopic Mass: 2.9
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]+	265.14476	166.6
[M+Na]+	287.12670	176.2
[M-H]-	263.13020	168.9
[M+NH4]+	282.17130	178.7
[M+K]+	303.10064	170.2
[M+H-H2O]+	247.13474	155.9
[M+HCOO]-	309.13568	182.7
[M+CH3COO]-	323.15133	177.1
[M+Na-2H]-	285.11215	175.8
[M]+	264.13693	167.0
[M]-	264.13803	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.