CID 65624

Talastine

Structural Information

Molecular Formula

C₁₉H₂₁N₃O

SMILES

CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3

InChIKey

LCAAMXMULMCKLJ-UHFFFAOYSA-N

Compound name

4-benzyl-2-[2-(dimethylamino)ethyl]phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 800
Patents: 307.16846 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]+	308.17574	174.2
[M+Na]+	330.15768	182.2
[M-H]-	306.16118	180.2
[M+NH4]+	325.20228	187.6
[M+K]+	346.13162	177.1
[M+H-H2O]+	290.16572	163.5
[M+HCOO]-	352.16666	195.7
[M+CH3COO]-	366.18231	212.9
[M+Na-2H]-	328.14313	180.3
[M]+	307.16791	176.9
[M]-	307.16901	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe