CID 4454978

1,3-diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCC1(C(=O)N(CN(C1=O)C(=O)C)C(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O4/c1-4-16(13-8-6-5-7-9-13)14(21)17(11(2)19)10-18(12(3)20)15(16)22/h5-9H,4,10H2,1-3H3
InChIKey
CTFNIOFYXYHXHZ-UHFFFAOYSA-N
Compound name
1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.5
[M+Na]+ 325.11587 181.0
[M+NH4]+ 320.16047 175.8
[M+K]+ 341.08981 174.6
[M-H]- 301.11937 170.1
[M+Na-2H]- 323.10132 175.0
[M]+ 302.12610 171.1
[M]- 302.12720 171.1
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.