CID 208451

Brn 0758414

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2CCCCC2)C)N3CCCC3
InChI
InChI=1S/C16H25N3O2/c1-12-14(18-10-6-7-11-18)15(20)17(2)16(21)19(12)13-8-4-3-5-9-13/h13H,3-11H2,1-2H3
InChIKey
VFYNEHAJTWGCTL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3,6-dimethyl-5-pyrrolidin-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 170.8
[M+Na]+ 314.18389 177.6
[M-H]- 290.18739 176.1
[M+NH4]+ 309.22849 183.9
[M+K]+ 330.15783 173.0
[M+H-H2O]+ 274.19193 160.7
[M+HCOO]- 336.19287 186.0
[M+CH3COO]- 350.20852 202.2
[M+Na-2H]- 312.16934 168.4
[M]+ 291.19412 166.5
[M]- 291.19522 166.5
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.