CID 6479276

Chembl434837

Structural Information

Molecular Formula
C17H14N2O6
SMILES
C1=CC=C(C=C1)COC\2=C(C(=O)O/C2=C\CN3C=CC(=O)NC3=O)O
InChI
InChI=1S/C17H14N2O6/c20-13-7-9-19(17(23)18-13)8-6-12-15(14(21)16(22)25-12)24-10-11-4-2-1-3-5-11/h1-7,9,21H,8,10H2,(H,18,20,23)/b12-6-
InChIKey
NWGPQGGTTMQEHY-SDQBBNPISA-N
Compound name
1-[(2Z)-2-(4-hydroxy-5-oxo-3-phenylmethoxyfuran-2-ylidene)ethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.08517 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09245 175.0
[M+Na]+ 365.07439 184.4
[M-H]- 341.07789 181.3
[M+NH4]+ 360.11899 184.5
[M+K]+ 381.04833 180.0
[M+H-H2O]+ 325.08243 165.9
[M+HCOO]- 387.08337 194.2
[M+CH3COO]- 401.09902 203.5
[M+Na-2H]- 363.05984 176.5
[M]+ 342.08462 177.4
[M]- 342.08572 177.4
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.