CID 5284636

Vinbarbital

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC/C=C(\C)/C1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+
InChIKey
RAFOHKSPUDGZPR-VOTSOKGWSA-N
Compound name
5-ethyl-5-[(E)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

887
Patents

224.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.2
[M+Na]+ 247.105308 157.5
[M-H]- 223.108814 148.2
[M+NH4]+ 242.149913 166.7
[M+K]+ 263.079248 153.8
[M+H-H2O]+ 207.113350 144.8
[M+HCOO]- 269.114291 164.6
[M+CH3COO]- 283.129941 184.9
[M+Na-2H]- 245.090756 151.7
[M]+ 224.11554142 146.3
[M]- 224.11663858 146.3
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

patents stripe