CID 208436

Brn 0757446

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C16H19N3O2/c1-12-14(18-10-6-7-11-18)15(20)19(16(21)17(12)2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKey
BIPNRIQANSKZIV-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-phenyl-5-pyrrolidin-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 166.9
[M+Na]+ 308.13696 181.8
[M+NH4]+ 303.18156 173.7
[M+K]+ 324.11090 176.5
[M-H]- 284.14046 170.7
[M+Na-2H]- 306.12241 174.8
[M]+ 285.14719 170.0
[M]- 285.14829 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.