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]+ 215.12912 150.2
[M+Na]+ 237.11106 159.8
[M-H]- 213.11456 151.6
[M+NH4]+ 232.15566 163.5
[M+K]+ 253.08500 155.2
[M+H-H2O]+ 197.11910 140.0
[M+HCOO]- 259.12004 169.7
[M+CH3COO]- 273.13569 161.9
[M+Na-2H]- 235.09651 158.0
[M]+ 214.12129 151.3
[M]- 214.12239 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.