CID 135746689

Brn 0839767

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CCOC(=O)CC1=C(N=C(NC1=O)CC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C17H20N2O4/c1-4-23-16(20)10-14-11(2)18-15(19-17(14)21)9-12-5-7-13(22-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKey
WDCGZNLOEDYHNT-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 174.5
[M+Na]+ 339.13152 188.2
[M+NH4]+ 334.17612 179.6
[M+K]+ 355.10546 182.1
[M-H]- 315.13502 175.8
[M+Na-2H]- 337.11697 180.6
[M]+ 316.14175 176.7
[M]- 316.14285 176.7
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.