CID 3236346

421580-79-2

Structural Information

Molecular Formula
C17H19ClN2O5
SMILES
CC1=C(C(N(C(=O)N1)C(=O)C)C2=CC=C(C=C2)Cl)C(=O)OCCOC
InChI
InChI=1S/C17H19ClN2O5/c1-10-14(16(22)25-9-8-24-3)15(12-4-6-13(18)7-5-12)20(11(2)21)17(23)19-10/h4-7,15H,8-9H2,1-3H3,(H,19,23)
InChIKey
BDDGNXOWLBAUAB-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

366.09824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10552 180.5
[M+Na]+ 389.08746 188.5
[M-H]- 365.09096 183.4
[M+NH4]+ 384.13206 190.7
[M+K]+ 405.06140 184.0
[M+H-H2O]+ 349.09550 172.5
[M+HCOO]- 411.09644 191.9
[M+CH3COO]- 425.11209 212.9
[M+Na-2H]- 387.07291 178.9
[M]+ 366.09769 184.8
[M]- 366.09879 184.8
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.