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]+ 345.180876 182.1
[M+Na]+ 367.162818 189.4
[M-H]- 343.166324 185.0
[M+NH4]+ 362.207423 192.2
[M+K]+ 383.136758 185.4
[M+H-H2O]+ 327.170860 172.6
[M+HCOO]- 389.171801 199.7
[M+CH3COO]- 403.187451 212.4
[M+Na-2H]- 365.148266 182.0
[M]+ 344.17305142 186.6
[M]- 344.17414858 186.6
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.