CID 75202022

1609580-99-5

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=CO3)C4=C(C(=O)NC(=O)N4C)C
InChI
InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)
InChIKey
CKMFOKUQUOYIOR-UHFFFAOYSA-N
Compound name
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

363.12192 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 185.6
[M+Na]+ 386.11114 203.9
[M+NH4]+ 381.15574 191.5
[M+K]+ 402.08508 198.6
[M-H]- 362.11464 191.2
[M+Na-2H]- 384.09659 193.6
[M]+ 363.12137 190.0
[M]- 363.12247 190.0
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