CID 12897

Dimethylphenobarbital

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

CCC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3

InChIKey

RPJARFKGODFVHL-UHFFFAOYSA-N

Compound name

5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 260.1161 Da
Monoisotopic Mass: 2.0
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]+	261.12338	159.6
[M+Na]+	283.10532	173.1
[M+NH4]+	278.14992	167.4
[M+K]+	299.07926	165.1
[M-H]-	259.10882	161.5
[M+Na-2H]-	281.09077	166.5
[M]+	260.11555	162.1
[M]-	260.11665	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe