CID 452902

6cyhexo-1-(2ohetome)t

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)OC2CCCCC2
InChI
InChI=1S/C14H22N2O5/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h11,17H,2-9H2,1H3,(H,15,18,19)
InChIKey
XAYVVJOKXOCCKM-UHFFFAOYSA-N
Compound name
6-cyclohexyloxy-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.15286 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 167.5
[M+Na]+ 321.14208 173.7
[M-H]- 297.14558 168.4
[M+NH4]+ 316.18668 178.5
[M+K]+ 337.11602 170.2
[M+H-H2O]+ 281.15012 158.6
[M+HCOO]- 343.15106 183.0
[M+CH3COO]- 357.16671 197.5
[M+Na-2H]- 319.12753 168.9
[M]+ 298.15231 166.9
[M]- 298.15341 166.9
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.