CID 49260

67050-90-2

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCCCCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H2,19,20,21,22,23)
InChIKey
FWFQTSYSHZMDRG-UHFFFAOYSA-N
Compound name
5-ethyl-5-(6-phenylhexyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 177.1
[M+Na]+ 339.16790 182.4
[M-H]- 315.17140 177.3
[M+NH4]+ 334.21250 189.2
[M+K]+ 355.14184 176.4
[M+H-H2O]+ 299.17594 168.6
[M+HCOO]- 361.17688 191.3
[M+CH3COO]- 375.19253 202.3
[M+Na-2H]- 337.15335 178.3
[M]+ 316.17813 174.3
[M]- 316.17923 174.3
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.