CID 135538688

4(1h)-pyrimidinone, 2-butoxy-6-((4-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCCCOC1=NC(=CC(=O)N1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H20N2O3/c1-3-4-9-21-16-17-13(11-15(19)18-16)10-12-5-7-14(20-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19)
InChIKey
LOTUZERZUQHMGU-UHFFFAOYSA-N
Compound name
2-butoxy-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

288.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 167.3
[M+Na]+ 311.13662 175.4
[M-H]- 287.14012 170.0
[M+NH4]+ 306.18122 179.7
[M+K]+ 327.11056 170.8
[M+H-H2O]+ 271.14466 157.9
[M+HCOO]- 333.14560 187.5
[M+CH3COO]- 347.16125 199.7
[M+Na-2H]- 309.12207 171.7
[M]+ 288.14685 170.9
[M]- 288.14795 170.9
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