CID 332838

69310-80-1

Structural Information

Molecular Formula
C17H18N2O5
SMILES
CCOC(=O)C1CC2=C(NC(=O)NC2=O)OC1(C)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O5/c1-3-23-15(21)12-9-11-13(20)18-16(22)19-14(11)24-17(12,2)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3,(H2,18,19,20,22)
InChIKey
SAIYLRKUDSGUIQ-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,4-dioxo-7-phenyl-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 175.1
[M+Na]+ 353.11080 183.7
[M-H]- 329.11430 178.4
[M+NH4]+ 348.15540 186.4
[M+K]+ 369.08474 180.1
[M+H-H2O]+ 313.11884 166.2
[M+HCOO]- 375.11978 189.1
[M+CH3COO]- 389.13543 203.5
[M+Na-2H]- 351.09625 179.8
[M]+ 330.12103 175.4
[M]- 330.12213 175.4
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

No patent data available for this compound.