CID 3078522

Brn 3561427

Structural Information

Molecular Formula
C14H15ClN2O4
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)Cl)OC
InChI
InChI=1S/C14H15ClN2O4/c1-16-12(18)7-13(21-3)17(14(16)19)8-9-4-5-11(20-2)10(15)6-9/h4-7H,8H2,1-3H3
InChIKey
WIDNHAMMWMRIIL-UHFFFAOYSA-N
Compound name
1-[(3-chloro-4-methoxyphenyl)methyl]-6-methoxy-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07202 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.079296 164.3
[M+Na]+ 333.061238 177.2
[M-H]- 309.064744 169.8
[M+NH4]+ 328.105843 178.2
[M+K]+ 349.035178 172.7
[M+H-H2O]+ 293.069280 156.2
[M+HCOO]- 355.070221 182.4
[M+CH3COO]- 369.085871 205.1
[M+Na-2H]- 331.046686 167.7
[M]+ 310.07147142 173.1
[M]- 310.07256858 173.1
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.