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]+ 346.176126 179.6
[M+Na]+ 368.158068 185.4
[M-H]- 344.161574 183.2
[M+NH4]+ 363.202673 191.6
[M+K]+ 384.132008 182.4
[M+H-H2O]+ 328.166110 171.0
[M+HCOO]- 390.167051 196.3
[M+CH3COO]- 404.182701 216.7
[M+Na-2H]- 366.143516 179.8
[M]+ 345.16830142 179.9
[M]- 345.16939858 179.9
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.