CID 204972

17148-45-7

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H16N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,15,18,20)
InChIKey
RLSZRIYHPDTEIB-UHFFFAOYSA-N
Compound name
5-(3-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.111 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 162.8
[M+Na]+ 299.100218 169.4
[M-H]- 275.103724 163.9
[M+NH4]+ 294.144823 174.6
[M+K]+ 315.074158 165.1
[M+H-H2O]+ 259.108260 154.6
[M+HCOO]- 321.109201 177.5
[M+CH3COO]- 335.124851 195.2
[M+Na-2H]- 297.085666 163.1
[M]+ 276.11045142 159.5
[M]- 276.11154858 159.5
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