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]+ 345.18088 182.6
[M+Na]+ 367.16282 190.1
[M-H]- 343.16632 185.3
[M+NH4]+ 362.20742 192.7
[M+K]+ 383.13676 185.5
[M+H-H2O]+ 327.17086 172.8
[M+HCOO]- 389.17180 201.1
[M+CH3COO]- 403.18745 211.4
[M+Na-2H]- 365.14827 183.5
[M]+ 344.17305 187.6
[M]- 344.17415 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.