CID 135460619

Brn 0845050

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCOC(=O)CC1=C(N=C(NC1=O)CC2=CC=C(C=C2)OC(C)C)C
InChI
InChI=1S/C19H24N2O4/c1-5-24-18(22)11-16-13(4)20-17(21-19(16)23)10-14-6-8-15(9-7-14)25-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,20,21,23)
InChIKey
VTDTUEKOXVDUMG-UHFFFAOYSA-N
Compound name
ethyl 2-[4-methyl-6-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 182.8
[M+Na]+ 367.16282 195.6
[M+NH4]+ 362.20742 187.4
[M+K]+ 383.13676 190.0
[M-H]- 343.16632 183.8
[M+Na-2H]- 365.14827 188.0
[M]+ 344.17305 184.7
[M]- 344.17415 184.7
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.