CID 37405

Benzylbarbital

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3/c1-2-13(8-9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18)
InChIKey
AMSPRCOZAYSJJZ-UHFFFAOYSA-N
Compound name
5-benzyl-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 156.8
[M+Na]+ 269.08967 168.6
[M+NH4]+ 264.13427 164.0
[M+K]+ 285.06361 161.0
[M-H]- 245.09317 157.5
[M+Na-2H]- 267.07512 163.1
[M]+ 246.09990 158.5
[M]- 246.10100 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.