CID 452904

6cyhexnh-1-(2ohetome)t

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)NC2CCCCC2
InChI
InChI=1S/C14H23N3O4/c1-10-12(15-11-5-3-2-4-6-11)17(9-21-8-7-18)14(20)16-13(10)19/h11,15,18H,2-9H2,1H3,(H,16,19,20)
InChIKey
VAJNPDWMFKHJIG-UHFFFAOYSA-N
Compound name
6-(cyclohexylamino)-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.16885 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17613 168.5
[M+Na]+ 320.15807 174.1
[M-H]- 296.16157 169.4
[M+NH4]+ 315.20267 179.4
[M+K]+ 336.13201 169.8
[M+H-H2O]+ 280.16611 159.6
[M+HCOO]- 342.16705 185.0
[M+CH3COO]- 356.18270 200.5
[M+Na-2H]- 318.14352 170.4
[M]+ 297.16830 165.8
[M]- 297.16940 165.8
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.