CID 120546

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1CCN(C1)CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O3/c20-13-16(12-6-2-1-3-7-12,14(21)18-15(22)17-13)8-11-19-9-4-5-10-19/h1-3,6-7H,4-5,8-11H2,(H2,17,18,20,21,22)
InChIKey
XIMGKWKRQJCALO-UHFFFAOYSA-N
Compound name
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 173.0
[M+Na]+ 324.13186 182.9
[M+NH4]+ 319.17646 179.5
[M+K]+ 340.10580 177.3
[M-H]- 300.13536 174.2
[M+Na-2H]- 322.11731 178.4
[M]+ 301.14209 174.4
[M]- 301.14319 174.4
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.

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patents stripe