CID 210593

21367-95-3

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)CCCCO
InChI
InChI=1S/C14H16N2O4/c17-9-5-4-8-11-12(18)15-14(20)16(13(11)19)10-6-2-1-3-7-10/h1-3,6-7,11,17H,4-5,8-9H2,(H,15,18,20)
InChIKey
VIIWBPFNMLPGGW-UHFFFAOYSA-N
Compound name
5-(4-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 163.1
[M+Na]+ 299.100218 170.0
[M-H]- 275.103724 164.1
[M+NH4]+ 294.144823 175.0
[M+K]+ 315.074158 165.1
[M+H-H2O]+ 259.108260 154.7
[M+HCOO]- 321.109201 178.8
[M+CH3COO]- 335.124851 194.3
[M+Na-2H]- 297.085666 164.5
[M]+ 276.11045142 160.4
[M]- 276.11154858 160.4
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

No patent data available for this compound.