CID 389353

Nsc685356

Structural Information

Molecular Formula
C12H12N2O4
SMILES
COC1=CC=CC(=C1)CC2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C12H12N2O4/c1-18-8-4-2-3-7(5-8)6-9-10(15)13-12(17)14-11(9)16/h2-5,9H,6H2,1H3,(H2,13,14,15,16,17)
InChIKey
CFUKTJJTJRNUJB-UHFFFAOYSA-N
Compound name
5-[(3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.07971 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 154.3
[M+Na]+ 271.06893 162.1
[M-H]- 247.07243 155.7
[M+NH4]+ 266.11353 167.4
[M+K]+ 287.04287 157.7
[M+H-H2O]+ 231.07697 146.3
[M+HCOO]- 293.07791 170.7
[M+CH3COO]- 307.09356 188.3
[M+Na-2H]- 269.05438 156.8
[M]+ 248.07916 150.9
[M]- 248.08026 150.9
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.