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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 161.0
[M+Na]+ 275.12672 169.2
[M-H]- 251.13022 161.3
[M+NH4]+ 270.17132 174.4
[M+K]+ 291.10066 162.7
[M+H-H2O]+ 235.13476 150.0
[M+HCOO]- 297.13570 176.4
[M+CH3COO]- 311.15135 170.8
[M+Na-2H]- 273.11217 170.4
[M]+ 252.13695 158.4
[M]- 252.13805 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.