CID 46906952

Chembl1165589

Structural Information

Molecular Formula
C16H15N3O3
SMILES
COC1=CC=C(C=C1)COC2=NC=NC(=C2N)C3=CC=CO3
InChI
InChI=1S/C16H15N3O3/c1-20-12-6-4-11(5-7-12)9-22-16-14(17)15(18-10-19-16)13-3-2-8-21-13/h2-8,10H,9,17H2,1H3
InChIKey
IHXBQWQVMOFIBM-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-6-[(4-methoxyphenyl)methoxy]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 166.8
[M+Na]+ 320.10055 175.5
[M-H]- 296.10405 175.0
[M+NH4]+ 315.14515 179.0
[M+K]+ 336.07449 172.5
[M+H-H2O]+ 280.10859 156.9
[M+HCOO]- 342.10953 190.1
[M+CH3COO]- 356.12518 178.8
[M+Na-2H]- 318.08600 171.5
[M]+ 297.11078 170.1
[M]- 297.11188 170.1
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.