CID 7578832

669707-13-5

Structural Information

Molecular Formula
C12H14N4
SMILES
CCC1=C(N=NC(=N1)C2=CC=CC=N2)CC
InChI
InChI=1S/C12H14N4/c1-3-9-10(4-2)15-16-12(14-9)11-7-5-6-8-13-11/h5-8H,3-4H2,1-2H3
InChIKey
CTHOVPODUCLZPG-UHFFFAOYSA-N
Compound name
5,6-diethyl-3-pyridin-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 150.2
[M+Na]+ 237.111058 159.8
[M-H]- 213.114564 151.6
[M+NH4]+ 232.155663 163.5
[M+K]+ 253.084998 155.2
[M+H-H2O]+ 197.119100 140.0
[M+HCOO]- 259.120041 169.7
[M+CH3COO]- 273.135691 161.9
[M+Na-2H]- 235.096506 158.0
[M]+ 214.12129142 151.3
[M]- 214.12238858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.