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
5
Annotation Hits

7
References

853
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 149.5
[M+Na]+ 249.08457 156.5
[M-H]- 225.08807 146.1
[M+NH4]+ 244.12917 164.9
[M+K]+ 265.05851 152.7
[M+H-H2O]+ 209.09261 144.3
[M+HCOO]- 271.09355 162.8
[M+CH3COO]- 285.10920 182.4
[M+Na-2H]- 247.07002 151.0
[M]+ 226.09480 144.8
[M]- 226.09590 144.8
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