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

1
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

patents stripe