CID 210096

20942-22-7

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC(=O)CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,18,20)
InChIKey
WTMIEMJOWOUDNF-UHFFFAOYSA-N
Compound name
5-(3-oxobutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 160.6
[M+Na]+ 297.08459 167.9
[M-H]- 273.08809 163.1
[M+NH4]+ 292.12919 173.2
[M+K]+ 313.05853 163.9
[M+H-H2O]+ 257.09263 152.2
[M+HCOO]- 319.09357 177.0
[M+CH3COO]- 333.10922 196.8
[M+Na-2H]- 295.07004 161.4
[M]+ 274.09482 158.5
[M]- 274.09592 158.5
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