CID 3058047

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

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1CCC(CC1)OC2=NC(=CN=N2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O/c1-3-7-12(8-4-1)14-11-16-18-15(17-14)19-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKey
RLKSUMODPQRHNO-UHFFFAOYSA-N
Compound name
3-cyclohexyloxy-5-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.6
[M+Na]+ 278.12638 164.8
[M-H]- 254.12988 163.9
[M+NH4]+ 273.17098 171.2
[M+K]+ 294.10032 160.2
[M+H-H2O]+ 238.13442 148.0
[M+HCOO]- 300.13536 176.6
[M+CH3COO]- 314.15101 169.4
[M+Na-2H]- 276.11183 165.8
[M]+ 255.13661 155.1
[M]- 255.13771 155.1
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.