CID 3457

Gca-186

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChIKey
NVGVZWUORYLPAL-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

129
Patents

330.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 180.9
[M+Na]+ 353.18356 195.4
[M+NH4]+ 348.22816 186.3
[M+K]+ 369.15750 188.6
[M-H]- 329.18706 182.8
[M+Na-2H]- 351.16901 186.4
[M]+ 330.19379 183.5
[M]- 330.19489 183.5
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

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