CID 492055

Chembl335356

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC1(CCCO1)CC2=CC(=O)N(C(=N2)OC3CCCCC3)C
InChI
InChI=1S/C17H26N2O3/c1-17(9-6-10-21-17)12-13-11-15(20)19(2)16(18-13)22-14-7-4-3-5-8-14/h11,14H,3-10,12H2,1-2H3
InChIKey
KEBKLANJKMFLSP-UHFFFAOYSA-N
Compound name
2-cyclohexyloxy-3-methyl-6-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 172.5
[M+Na]+ 329.18356 177.8
[M-H]- 305.18706 179.3
[M+NH4]+ 324.22816 186.7
[M+K]+ 345.15750 175.8
[M+H-H2O]+ 289.19160 163.2
[M+HCOO]- 351.19254 188.1
[M+CH3COO]- 365.20819 202.3
[M+Na-2H]- 327.16901 173.2
[M]+ 306.19379 170.3
[M]- 306.19489 170.3
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.