CID 89620

Brn 0523005

Structural Information

Molecular Formula

C₁₅H₁₇N₃

SMILES

CN1CCN=C(N1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C15H17N3/c1-18-10-9-16-15(17-18)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,16,17)

InChIKey

LHNCXCNNNBRXIX-UHFFFAOYSA-N

Compound name

1-methyl-3-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.14224 Da
Monoisotopic Mass: 2.3
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]+	240.149516	157.2
[M+Na]+	262.131458	164.2
[M-H]-	238.134964	158.5
[M+NH4]+	257.176063	170.7
[M+K]+	278.105398	158.0
[M+H-H2O]+	222.139500	147.2
[M+HCOO]-	284.140441	172.5
[M+CH3COO]-	298.156091	167.1
[M+Na-2H]-	260.116906	163.9
[M]+	239.14169142	152.8
[M]-	239.14278858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe