CID 202186

7662-17-1

Structural Information

Molecular Formula

C₁₈H₂₁N₃

SMILES

CC1C(N=C(NN1C)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3/c1-13-9-11-16(12-10-13)18-19-17(14(2)21(3)20-18)15-7-5-4-6-8-15/h4-12,14,17H,1-3H3,(H,19,20)

InChIKey

UPFYRKMSMLVVAM-UHFFFAOYSA-N

Compound name

1,6-dimethyl-3-(4-methylphenyl)-5-phenyl-5,6-dihydro-2H-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.17355 Da
Monoisotopic Mass: 3.6
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]+	280.180826	170.2
[M+Na]+	302.162768	177.8
[M-H]-	278.166274	174.3
[M+NH4]+	297.207373	181.4
[M+K]+	318.136708	170.8
[M+H-H2O]+	262.170810	159.4
[M+HCOO]-	324.171751	186.0
[M+CH3COO]-	338.187401	179.9
[M+Na-2H]-	300.148216	173.2
[M]+	279.17300142	166.3
[M]-	279.17409858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe