CID 60502

1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenylbarbituric acid hydrochloride

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(=O)CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H23N3O4/c1-4-18(13-8-6-5-7-9-13)15(23)19-17(25)21(16(18)24)12-14(22)10-11-20(2)3/h5-9H,4,10-12H2,1-3H3,(H,19,23,25)
InChIKey
OIVCBMWVLWMLIX-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)-2-oxobutyl]-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

345.16885 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 181.3
[M+Na]+ 368.15807 191.0
[M+NH4]+ 363.20267 186.6
[M+K]+ 384.13201 184.6
[M-H]- 344.16157 181.9
[M+Na-2H]- 366.14352 186.0
[M]+ 345.16830 182.5
[M]- 345.16940 182.5
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.