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

0
Patents

348.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 179.6
[M+Na]+ 371.15774 187.2
[M-H]- 347.16124 183.4
[M+NH4]+ 366.20234 192.3
[M+K]+ 387.13168 184.5
[M+H-H2O]+ 331.16578 170.7
[M+HCOO]- 393.16672 197.2
[M+CH3COO]- 407.18237 213.9
[M+Na-2H]- 369.14319 180.9
[M]+ 348.16797 184.3
[M]- 348.16907 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