CID 5352735

Secobarbital m (oh, -h2o)

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C/C=C(\C)/C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H14N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4-5H,1,6H2,2-3H3,(H2,12,13,14,15,16)/b7-5+
InChIKey
WPIQHWSPEILYJT-FNORWQNLSA-N
Compound name
5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.7
[M+Na]+ 245.08967 156.3
[M-H]- 221.09317 146.7
[M+NH4]+ 240.13427 165.2
[M+K]+ 261.06361 152.0
[M+H-H2O]+ 205.09771 143.4
[M+HCOO]- 267.09865 163.3
[M+CH3COO]- 281.11430 184.1
[M+Na-2H]- 243.07512 150.2
[M]+ 222.09990 144.1
[M]- 222.10100 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.