CID 89624

Brn 0535872

Structural Information

Molecular Formula

C₁₇H₁₉N₃

SMILES

CN1CCN=C(N1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3/c1-20-13-12-18-17(19-20)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,18,19)

InChIKey

CBFSGXPMKBWERQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1579 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]+	266.165176	163.9
[M+Na]+	288.147118	168.7
[M-H]-	264.150624	167.0
[M+NH4]+	283.191723	174.5
[M+K]+	304.121058	162.4
[M+H-H2O]+	248.155160	152.8
[M+HCOO]-	310.156101	179.0
[M+CH3COO]-	324.171751	172.9
[M+Na-2H]-	286.132566	168.7
[M]+	265.15735142	157.8
[M]-	265.15844858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe