CID 367142

56504-51-9

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey
NEWBESJIUIWGMS-UHFFFAOYSA-N
Compound name
5-[(4-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

230.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 150.7
[M+Na]+ 253.058358 159.1
[M-H]- 229.061864 152.3
[M+NH4]+ 248.102963 164.7
[M+K]+ 269.032298 153.5
[M+H-H2O]+ 213.066400 143.1
[M+HCOO]- 275.067341 167.1
[M+CH3COO]- 289.082991 184.6
[M+Na-2H]- 251.043806 153.1
[M]+ 230.06859142 145.2
[M]- 230.06968858 145.2
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