CID 4909

Primidone

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

InChIKey

DQMZLTXERSFNPB-UHFFFAOYSA-N

Compound name

5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1629
References: 23560
Patents: 218.10553 Da
Monoisotopic Mass: 0.9
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]+	219.11281	149.9
[M+Na]+	241.09475	156.8
[M-H]-	217.09825	150.9
[M+NH4]+	236.13935	166.0
[M+K]+	257.06869	152.1
[M+H-H2O]+	201.10279	142.4
[M+HCOO]-	263.10373	165.8
[M+CH3COO]-	277.11938	181.6
[M+Na-2H]-	239.08020	154.8
[M]+	218.10498	143.9
[M]-	218.10608	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe