CID 2244546

16348-04-2

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O
InChI
InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKey
WLGYFVCNEFNYKO-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

218.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 146.2
[M+Na]+ 241.058358 155.1
[M-H]- 217.061864 149.3
[M+NH4]+ 236.102963 161.4
[M+K]+ 257.032298 151.2
[M+H-H2O]+ 201.066400 138.4
[M+HCOO]- 263.067341 164.3
[M+CH3COO]- 277.082991 185.4
[M+Na-2H]- 239.043806 149.6
[M]+ 218.06859142 142.9
[M]- 218.06968858 142.9
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