CID 135540645

2-isopropyl-6-phenoxymethyl-4-pyrimidinol

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C)C1=NC(=CC(=O)N1)COC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2/c1-10(2)14-15-11(8-13(17)16-14)9-18-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,15,16,17)
InChIKey
PHRKUFRUBJGTJQ-UHFFFAOYSA-N
Compound name
4-(phenoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.7
[M+Na]+ 267.11041 170.2
[M+NH4]+ 262.15501 162.8
[M+K]+ 283.08435 163.3
[M-H]- 243.11391 158.2
[M+Na-2H]- 265.09586 164.1
[M]+ 244.12064 158.4
[M]- 244.12174 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe