CID 207433

Brn 0798042

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CN1C(=O)CCN(C1=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O3/c1-13-11(15)7-8-14(12(13)16)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
SPRWICNMSNYDDG-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylmethoxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.3
[M+Na]+ 257.08967 158.9
[M-H]- 233.09317 155.1
[M+NH4]+ 252.13427 166.3
[M+K]+ 273.06361 156.2
[M+H-H2O]+ 217.09771 142.6
[M+HCOO]- 279.09865 170.3
[M+CH3COO]- 293.11430 190.4
[M+Na-2H]- 255.07512 155.4
[M]+ 234.09990 150.4
[M]- 234.10100 150.4
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.