CID 3058048

As-triazine, 3-(decyloxy)-5-phenyl-

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCCCCCCCCCOC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C19H27N3O/c1-2-3-4-5-6-7-8-12-15-23-19-21-18(16-20-22-19)17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3
InChIKey
MSSAMFMVEGCWRR-UHFFFAOYSA-N
Compound name
3-decoxy-5-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 179.7
[M+Na]+ 336.20464 193.8
[M+NH4]+ 331.24924 186.3
[M+K]+ 352.17858 184.2
[M-H]- 312.20814 182.5
[M+Na-2H]- 334.19009 187.9
[M]+ 313.21487 182.5
[M]- 313.21597 182.5
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.