CID 74983774

871504-35-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC1=CC(=CC(=C1)N2CCC(=O)NC2=O)C

InChI

InChI=1S/C12H14N2O2/c1-8-5-9(2)7-10(6-8)14-4-3-11(15)13-12(14)16/h5-7H,3-4H2,1-2H3,(H,13,15,16)

InChIKey

GGROVWVIRROCAO-UHFFFAOYSA-N

Compound name

1-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.10553 Da
Monoisotopic Mass: 1.3
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]+	219.112806	149.1
[M+Na]+	241.094748	157.4
[M-H]-	217.098254	151.9
[M+NH4]+	236.139353	164.5
[M+K]+	257.068688	153.2
[M+H-H2O]+	201.102790	141.2
[M+HCOO]-	263.103731	166.4
[M+CH3COO]-	277.119381	187.0
[M+Na-2H]-	239.080196	151.9
[M]+	218.10498142	145.4
[M]-	218.10607858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.