CID 208429

32150-61-1

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)N3CCCC3
InChI
InChI=1S/C16H19N3O2/c1-12-14(18-10-6-7-11-18)15(20)17(2)16(21)19(12)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKey
VYMMCESYBCZZER-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1-phenyl-5-pyrrolidin-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 166.1
[M+Na]+ 308.13696 176.0
[M-H]- 284.14046 172.7
[M+NH4]+ 303.18156 179.8
[M+K]+ 324.11090 170.8
[M+H-H2O]+ 268.14500 156.2
[M+HCOO]- 330.14594 185.7
[M+CH3COO]- 344.16159 177.8
[M+Na-2H]- 306.12241 166.8
[M]+ 285.14719 166.1
[M]- 285.14829 166.1
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.