CID 207438

30060-43-6

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1=CC(=CC=C1)CON2CCC(=O)NC2=O
InChI
InChI=1S/C12H14N2O3/c1-9-3-2-4-10(7-9)8-17-14-6-5-11(15)13-12(14)16/h2-4,7H,5-6,8H2,1H3,(H,13,15,16)
InChIKey
IQZGEVYLTODGBD-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)methoxy]-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

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.1
[M+Na]+ 257.08967 159.2
[M-H]- 233.09317 154.4
[M+NH4]+ 252.13427 166.3
[M+K]+ 273.06361 155.6
[M+H-H2O]+ 217.09771 143.6
[M+HCOO]- 279.09865 169.6
[M+CH3COO]- 293.11430 187.9
[M+Na-2H]- 255.07512 155.6
[M]+ 234.09990 149.4
[M]- 234.10100 149.4
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.