CID 89626

Brn 1592131

Structural Information

Molecular Formula

C₁₉H₂₃N₃O

SMILES

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

InChI

InChI=1S/C19H23N3O/c1-21-12-13-22(14-15-23)19(20-21)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3

InChIKey

RIPSUVKCUGYACN-UHFFFAOYSA-N

Compound name

2-(3-benzhydryl-1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.1841 Da
Monoisotopic Mass: 2.6
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]+	310.191376	176.4
[M+Na]+	332.173318	181.1
[M-H]-	308.176824	179.6
[M+NH4]+	327.217923	185.4
[M+K]+	348.147258	175.0
[M+H-H2O]+	292.181360	164.9
[M+HCOO]-	354.182301	191.0
[M+CH3COO]-	368.197951	184.7
[M+Na-2H]-	330.158766	179.3
[M]+	309.18355142	172.7
[M]-	309.18464858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe