CID 205918

19011-62-2

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,14,16,18)
InChIKey
RLYZEKMBXUILGY-UHFFFAOYSA-N
Compound name
1-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.2
[M+Na]+ 269.08967 163.2
[M-H]- 245.09317 157.8
[M+NH4]+ 264.13427 169.2
[M+K]+ 285.06361 158.8
[M+H-H2O]+ 229.09771 147.0
[M+HCOO]- 291.09865 172.6
[M+CH3COO]- 305.11430 191.4
[M+Na-2H]- 267.07512 157.6
[M]+ 246.09990 152.6
[M]- 246.10100 152.6
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