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]+ 277.11828 163.1
[M+Na]+ 299.10022 170.0
[M-H]- 275.10372 164.1
[M+NH4]+ 294.14482 175.0
[M+K]+ 315.07416 165.1
[M+H-H2O]+ 259.10826 154.7
[M+HCOO]- 321.10920 178.8
[M+CH3COO]- 335.12485 194.3
[M+Na-2H]- 297.08567 164.5
[M]+ 276.11045 160.4
[M]- 276.11155 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.