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: 11
Patents: 269.16403 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.171306	164.8
[M+Na]+	292.153248	170.5
[M-H]-	268.156754	169.1
[M+NH4]+	287.197853	175.5
[M+K]+	308.127188	164.5
[M+H-H2O]+	252.161290	153.7
[M+HCOO]-	314.162231	182.6
[M+CH3COO]-	328.177881	174.0
[M+Na-2H]-	290.138696	168.8
[M]+	269.16348142	156.8
[M]-	269.16457858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe