CID 208420

Uracil, 3-cyclopentyl-1,6-dimethyl-5-dimethylamino-

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2CCCC2)N(C)C
InChI
InChI=1S/C13H21N3O2/c1-9-11(14(2)3)12(17)16(13(18)15(9)4)10-7-5-6-8-10/h10H,5-8H2,1-4H3
InChIKey
KAHQJDOPZZKJHB-UHFFFAOYSA-N
Compound name
3-cyclopentyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.170656 156.2
[M+Na]+ 274.152598 165.4
[M-H]- 250.156104 162.5
[M+NH4]+ 269.197203 173.6
[M+K]+ 290.126538 163.3
[M+H-H2O]+ 234.160640 148.2
[M+HCOO]- 296.161581 178.4
[M+CH3COO]- 310.177231 201.8
[M+Na-2H]- 272.138046 156.5
[M]+ 251.16283142 157.9
[M]- 251.16392858 157.9
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.