CID 454560

1-cyhexome-6phs-5et u

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COC2CCCCC2)SC3=CC=CC=C3
InChI
InChI=1S/C19H24N2O3S/c1-2-16-17(22)20-19(23)21(13-24-14-9-5-3-6-10-14)18(16)25-15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,20,22,23)
InChIKey
DBMJTBUJNVLYTP-UHFFFAOYSA-N
Compound name
1-(cyclohexyloxymethyl)-5-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

360.15076 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 184.2
[M+Na]+ 383.13998 190.5
[M-H]- 359.14348 189.2
[M+NH4]+ 378.18458 193.7
[M+K]+ 399.11392 183.8
[M+H-H2O]+ 343.14802 174.2
[M+HCOO]- 405.14896 195.8
[M+CH3COO]- 419.16461 209.9
[M+Na-2H]- 381.12543 183.3
[M]+ 360.15021 183.8
[M]- 360.15131 183.8
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.