CID 506587

Oprea1_663718

Structural Information

Molecular Formula
C15H19N5
SMILES
C1CC(CCC1C2=CC=CC=C2)C3=NC(=NC(=N3)N)N
InChI
InChI=1S/C15H19N5/c16-14-18-13(19-15(17)20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H4,16,17,18,19,20)
InChIKey
YXJYSVRMWCERIB-UHFFFAOYSA-N
Compound name
6-(4-phenylcyclohexyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.16403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 164.8
[M+Na]+ 292.15325 170.5
[M-H]- 268.15675 169.1
[M+NH4]+ 287.19785 175.5
[M+K]+ 308.12719 164.5
[M+H-H2O]+ 252.16129 153.7
[M+HCOO]- 314.16223 182.6
[M+CH3COO]- 328.17788 174.0
[M+Na-2H]- 290.13870 168.8
[M]+ 269.16348 156.8
[M]- 269.16458 156.8
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.