CID 135746691

Brn 0845198

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCCOC1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC(=O)OCC)C
InChI
InChI=1S/C19H24N2O4/c1-4-10-25-15-8-6-14(7-9-15)11-17-20-13(3)16(19(23)21-17)12-18(22)24-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChIKey
JEYOZRCWNLGLJC-UHFFFAOYSA-N
Compound name
ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.180876 182.6
[M+Na]+ 367.162818 190.1
[M-H]- 343.166324 185.3
[M+NH4]+ 362.207423 192.7
[M+K]+ 383.136758 185.5
[M+H-H2O]+ 327.170860 172.8
[M+HCOO]- 389.171801 201.1
[M+CH3COO]- 403.187451 211.4
[M+Na-2H]- 365.148266 183.5
[M]+ 344.17305142 187.6
[M]- 344.17414858 187.6
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.