CID 358198

98793-61-4

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCO
InChI
InChI=1S/C12H12N2O4/c15-7-6-12(8-4-2-1-3-5-8)9(16)13-11(18)14-10(12)17/h1-5,15H,6-7H2,(H2,13,14,16,17,18)
InChIKey
MBKHGECZFQWLRD-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.07971 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 155.8
[M+Na]+ 271.06893 166.7
[M+NH4]+ 266.11353 162.1
[M+K]+ 287.04287 160.3
[M-H]- 247.07243 155.5
[M+Na-2H]- 269.05438 161.3
[M]+ 248.07916 157.0
[M]- 248.08026 157.0
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

patents stripe