CID 203249

14079-63-1

Structural Information

Molecular Formula

C₁₆H₁₇N₃

SMILES

CN1CC(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3/c1-19-12-15(13-8-4-2-5-9-13)17-16(18-19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,17,18)

InChIKey

NMVKXWVCWDQWOV-UHFFFAOYSA-N

Compound name

1-methyl-3,5-diphenyl-5,6-dihydro-2H-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.14224 Da
Monoisotopic Mass: 2.8
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]+	252.149516	160.3
[M+Na]+	274.131458	166.8
[M-H]-	250.134964	163.9
[M+NH4]+	269.176063	171.9
[M+K]+	290.105398	160.3
[M+H-H2O]+	234.139500	149.5
[M+HCOO]-	296.140441	176.8
[M+CH3COO]-	310.156091	170.1
[M+Na-2H]-	272.116906	165.9
[M]+	251.14169142	154.9
[M]-	251.14278858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe