CID 46907046

Chembl1165750

Structural Information

Molecular Formula
C17H15N3O4
SMILES
COC1=CC=C(C=C1)COC2=NC=NC(=C2NC=O)C3=CC=CO3
InChI
InChI=1S/C17H15N3O4/c1-22-13-6-4-12(5-7-13)9-24-17-16(20-11-21)15(18-10-19-17)14-3-2-8-23-14/h2-8,10-11H,9H2,1H3,(H,20,21)
InChIKey
DNHFKZDVJFPRNY-UHFFFAOYSA-N
Compound name
N-[4-(furan-2-yl)-6-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 172.7
[M+Na]+ 348.09548 180.9
[M-H]- 324.09898 181.1
[M+NH4]+ 343.14008 183.7
[M+K]+ 364.06942 178.1
[M+H-H2O]+ 308.10352 162.3
[M+HCOO]- 370.10446 196.5
[M+CH3COO]- 384.12011 208.2
[M+Na-2H]- 346.08093 177.9
[M]+ 325.10571 177.9
[M]- 325.10681 177.9
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

No patent data available for this compound.