CID 206370

1h-cyclopentapyrimidine-2,4(3h,5h)-dione, 6,7-dihydro-3-cyclohexyl-1-methyl-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CN1C2=C(CCC2)C(=O)N(C1=O)C3CCCCC3
InChI
InChI=1S/C14H20N2O2/c1-15-12-9-5-8-11(12)13(17)16(14(15)18)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKey
YKBTWJQUUOHZGH-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.7
[M+Na]+ 271.14170 164.6
[M-H]- 247.14520 161.4
[M+NH4]+ 266.18630 174.2
[M+K]+ 287.11564 160.5
[M+H-H2O]+ 231.14974 148.5
[M+HCOO]- 293.15068 173.9
[M+CH3COO]- 307.16633 168.3
[M+Na-2H]- 269.12715 158.0
[M]+ 248.15193 153.6
[M]- 248.15303 153.6
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.