CID 516592

121845-45-2

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

CCCC1=NC2=C(C=CN=C2)N=N1

InChI

InChI=1S/C9H10N4/c1-2-3-9-11-8-6-10-5-4-7(8)12-13-9/h4-6H,2-3H2,1H3

InChIKey

KZSXWJWFVZWSGY-UHFFFAOYSA-N

Compound name

3-propylpyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.09055 Da
Monoisotopic Mass: 0.7
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]+	175.097826	137.9
[M+Na]+	197.079768	148.0
[M-H]-	173.083274	137.0
[M+NH4]+	192.124373	153.9
[M+K]+	213.053708	144.2
[M+H-H2O]+	157.087810	128.8
[M+HCOO]-	219.088751	156.9
[M+CH3COO]-	233.104401	150.3
[M+Na-2H]-	195.065216	148.7
[M]+	174.09000142	139.0
[M]-	174.09109858	139.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.