CID 70844

Dormovit

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC2=CC=CO2
InChI
InChI=1S/C12H14N2O4/c1-7(2)12(6-8-4-3-5-18-8)9(15)13-11(17)14-10(12)16/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
GPMGSASPWYMZHC-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

250.09535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.102626 154.4
[M+Na]+ 273.084568 161.9
[M-H]- 249.088074 156.6
[M+NH4]+ 268.129173 169.8
[M+K]+ 289.058508 159.4
[M+H-H2O]+ 233.092610 148.0
[M+HCOO]- 295.093551 169.7
[M+CH3COO]- 309.109201 187.4
[M+Na-2H]- 271.070016 156.0
[M]+ 250.09480142 151.8
[M]- 250.09589858 151.8
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