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 154.9
[M+Na]+ 271.06893 162.3
[M-H]- 247.07243 154.9
[M+NH4]+ 266.11353 169.1
[M+K]+ 287.04287 157.4
[M+H-H2O]+ 231.07697 147.7
[M+HCOO]- 293.07791 169.8
[M+CH3COO]- 307.09356 184.2
[M+Na-2H]- 269.05438 158.9
[M]+ 248.07916 149.7
[M]- 248.08026 149.7
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