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]+ 256.144436 159.6
[M+Na]+ 278.126378 164.8
[M-H]- 254.129884 163.9
[M+NH4]+ 273.170983 171.2
[M+K]+ 294.100318 160.2
[M+H-H2O]+ 238.134420 148.0
[M+HCOO]- 300.135361 176.6
[M+CH3COO]- 314.151011 169.4
[M+Na-2H]- 276.111826 165.8
[M]+ 255.13661142 155.1
[M]- 255.13770858 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.