CID 3114641

294197-63-0

Structural Information

Molecular Formula
C16H18N2O6
SMILES
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC
InChI
InChI=1S/C16H18N2O6/c1-9-13(15(19)22-6-5-21-2)14(18-16(20)17-9)10-3-4-11-12(7-10)24-8-23-11/h3-4,7,14H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKey
JOAFDNANVAOGGG-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1165 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 176.0
[M+Na]+ 357.10572 182.5
[M-H]- 333.10922 179.5
[M+NH4]+ 352.15032 185.6
[M+K]+ 373.07966 181.1
[M+H-H2O]+ 317.11376 168.0
[M+HCOO]- 379.11470 188.8
[M+CH3COO]- 393.13035 204.2
[M+Na-2H]- 355.09117 177.1
[M]+ 334.11595 177.8
[M]- 334.11705 177.8
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.