CID 24845089

2068-43-1

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CN(C)CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O3/c1-17(2)9-8-14(10-6-4-3-5-7-10)11(18)15-13(20)16-12(14)19/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19,20)
InChIKey
BMGSXJAWRHPRCZ-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 162.6
[M+Na]+ 298.11620 169.0
[M-H]- 274.11970 165.1
[M+NH4]+ 293.16080 176.8
[M+K]+ 314.09014 165.3
[M+H-H2O]+ 258.12424 154.5
[M+HCOO]- 320.12518 179.8
[M+CH3COO]- 334.14083 198.7
[M+Na-2H]- 296.10165 165.8
[M]+ 275.12643 159.0
[M]- 275.12753 159.0
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