CID 3057188

Hl 2156

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

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

InChI

InChI=1S/C12H15N3O/c1-14(2)7-8-15-12(16)11-6-4-3-5-10(11)9-13-15/h3-6,9H,7-8H2,1-2H3

InChIKey

AFGHQNXDVFYWOK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.1215 Da
Monoisotopic Mass: 0.6
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]+	218.12878	147.4
[M+Na]+	240.11072	156.4
[M-H]-	216.11422	150.8
[M+NH4]+	235.15532	165.0
[M+K]+	256.08466	153.8
[M+H-H2O]+	200.11876	139.0
[M+HCOO]-	262.11970	170.1
[M+CH3COO]-	276.13535	195.0
[M+Na-2H]-	238.09617	155.6
[M]+	217.12095	150.2
[M]-	217.12205	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe