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 179.0
[M+Na]+ 336.20464 184.3
[M-H]- 312.20814 180.1
[M+NH4]+ 331.24924 189.2
[M+K]+ 352.17858 178.9
[M+H-H2O]+ 296.21268 167.6
[M+HCOO]- 358.21362 197.7
[M+CH3COO]- 372.22927 208.1
[M+Na-2H]- 334.19009 183.8
[M]+ 313.21487 182.9
[M]- 313.21597 182.9
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.