CID 33926

Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COCC)COCC)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2O5/c1-4-18(14-10-8-7-9-11-14)15(21)19(12-24-5-2)17(23)20(16(18)22)13-25-6-3/h7-11H,4-6,12-13H2,1-3H3
InChIKey
INJMAFDBGNBDKD-UHFFFAOYSA-N
Compound name
1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.175796 179.6
[M+Na]+ 371.157738 187.2
[M-H]- 347.161244 183.4
[M+NH4]+ 366.202343 192.3
[M+K]+ 387.131678 184.5
[M+H-H2O]+ 331.165780 170.7
[M+HCOO]- 393.166721 197.2
[M+CH3COO]- 407.182371 213.9
[M+Na-2H]- 369.143186 180.9
[M]+ 348.16797142 184.3
[M]- 348.16906858 184.3
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

patents stripe