CID 17336

Proxibarbal

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC(CC1(C(=O)NC(=O)NC1=O)CC=C)O
InChI
InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
InChIKey
VNLMRPAWAMPLNZ-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

834
Patents

226.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 151.9
[M+Na]+ 249.08457 159.9
[M+NH4]+ 244.12917 156.8
[M+K]+ 265.05851 155.1
[M-H]- 225.08807 148.2
[M+Na-2H]- 247.07002 153.1
[M]+ 226.09480 151.4
[M]- 226.09590 151.4
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